SCHEMBL4362006

SCHEMBL4362006

CS(=O)(=O)c1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 4/20 0.38
ALDH3A1 P30838 4/20 0.37
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 1/20 0.35
ENPP2 Q13822 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4145387 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL28524826 0.82 VCAM1 (0.34) ALDH1A1GAA
SCHEMBL28859407 0.82 CA2 (0.50) ALDH1A1LMNAMAPT
SCHEMBL6759088 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMLMNAGAA
SCHEMBL9320310 0.81 CA1 (0.53) ALDH1A1ALDH3A1SMN1; SMN2PKMLMNA
SCHEMBL12466911 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2041738 0.78 VCAM1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL973134 0.77 ALDH1A1 (0.43) ALDH1A1PTGS2ALDH3A1ERN1ENPP2
SCHEMBL9320555 0.74 KMT2A (0.32) ALDH1A1GAAMAPT
SCHEMBL9322097 0.74 MMP2 (0.44) ALDH1A1PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-103588685-B Three ketones ammonium salt compound and preparation method thereof and application Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2016-01-13 CN claimed
CN-103588685-A Triketone ammonium salt compounds and preparation method and application thereof ZHEJIANG ZHUJI HELI CHEMICAL FOREIGN TRADE CO LTD 2014-02-19 CN claimed
US-7029502-B2 Azo dyes, a process for their preparation and their use in the production of colored plastics or polymeric color particles, and in the dyeing or printing of hydrophobic fiber materials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-18 US claimed
US-6864253-B2 Benzo[4,5]thieno[2,3-c]pyridine and Benzo[4,5]furo[2,3-c]pyridine Derivatives Useful as Inhibitors of Phosphodiesterase ORTH-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-08 US claimed
US-20040209776-A1 Azole derivatives useful as insecticide FAROOQ SALEEM 2004-10-21 US claimed
CN-1533389-A Azole derivatives useful as insecticide 2004-09-29 CN claimed
EP-1414818-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE Syngenta Limited (GB) 2004-05-06 EP claimed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US claimed
EP-0782632-B1 A METHOD FOR IDENTIFYING AND USING COMPOUNDS THAT INACTIVATE HIV-1 AND OTHER RETROVIRUSES BY ATTACKING HIGHLY CONSERVED ZINC FINGERS IN THE VIRAL NUCLEOCAPSID PROTEIN US GOV HEALTH & HUMAN SERV (US) 2003-04-16 EP claimed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP claimed
WO-2003011861-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE SYNGENTA LIMITED (GB) 2003-02-13 WO claimed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US claimed
US-6372752-B1 ENZYME INHIBITORS, RESPIRATORY SYSTEM DISORDERS, TUBERCULOSIS AND MYCOBACTERIUM BACTERICIDES GENZYME CORPORATION 2002-04-16 US claimed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed
WO-2001087038-A2 β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO claimed
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 WO claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN disclosed
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN disclosed
CN-111493078-A Use of piperazinone derivatives, an accelerator and a method for controlling root parasitic weeds 南开大学 2020-08-07 CN disclosed
WO-2019154284-A1 PIPERAZINONE DERIVATIVE, PREPARATION METHOD THEREFOR, USE THEREOF, ACCELERATOR AND METHOD FOR CONTROLLING ROOT PARASITIC WEEDS 南开大学 2019-08-15 WO disclosed
CN-106332895-A Iodine oligosaccharide acid-containing synergistic weeding composition and applications thereof 上海贯发海洋生物科技有限公司 2017-01-18 CN disclosed
CN-103588685-B Three ketones ammonium salt compound and preparation method thereof and application Zhejiang Zhuji United Chemicals Co., Ltd. (CN) 2016-01-13 CN disclosed
CN-103588685-A Triketone ammonium salt compounds and preparation method and application thereof ZHEJIANG ZHUJI HELI CHEMICAL FOREIGN TRADE CO LTD 2014-02-19 CN disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
EP-1011729-B1 OLIGONUCLEOTIDES WHICH SPECIFICALLY BIND RETROVIRAL NUCLEOCAPSID PROTEINS US GOV HEALTH & HUMAN SERV (US) 2008-01-09 EP disclosed
US-20070265231-A1 Hydrazide Compounds for Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2007-11-15 US disclosed
EP-1819224-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006125637-A1 O-(PHENYL/HETEROCYCLYL)METHYL OXIME ETHER COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006058730-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-6943268-B2 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2005-09-13 US disclosed
CN-1196699-C Benzazoles: benzoxazole, benzthiazole and benzimidazole derivatives ZENECA LTD (GB) 2005-04-13 CN disclosed
US-6864253-B2 Benzo[4,5]thieno[2,3-c]pyridine and Benzo[4,5]furo[2,3-c]pyridine Derivatives Useful as Inhibitors of Phosphodiesterase ORTH-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-08 US disclosed
US-20040209776-A1 Azole derivatives useful as insecticide FAROOQ SALEEM 2004-10-21 US disclosed
CN-1533389-A Azole derivatives useful as insecticide 2004-09-29 CN disclosed
EP-1414818-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE Syngenta Limited (GB) 2004-05-06 EP disclosed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP disclosed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US disclosed
US-20030092763-A1 Method for induction of L-selectin shedding SCIENCE & TECHNOLOGY CORPORATION @UNM 2003-05-15 US disclosed
US-6544989-B2 Fungicidal, insecticidal, acaricidal, molluscicidal or nematicidal composition SYNGENTA LIMITED (GB) 2003-04-08 US disclosed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP disclosed
WO-2003011861-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE SYNGENTA LIMITED (GB) 2003-02-13 WO disclosed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US disclosed
EP-1100798-B1 BENZAZOLE, BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LTD (GB) 2002-09-18 EP disclosed
US-6372752-B1 ENZYME INHIBITORS, RESPIRATORY SYSTEM DISORDERS, TUBERCULOSIS AND MYCOBACTERIUM BACTERICIDES GENZYME CORPORATION 2002-04-16 US disclosed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087038-A2 β-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
CN-1320124-A Benzazoles: benzoxazole, benzthiazole and benzimidazole derivatives ZENECA LTD (GB) 2001-10-31 CN disclosed
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 WO disclosed
EP-1100798-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES Zeneca Limited (GB) 2001-05-23 EP disclosed
WO-2000006566-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-02-10 WO disclosed
US-5834404-A Substituted bicycloheptanedione derivative and herbicide NIPPON SODA CO., LTD. (JP) 1998-11-10 US disclosed
CN-1162953-A Substituted bicycloheptanedione derivatives and herbicides NIPPON SODA CO (JP) 1997-10-22 CN disclosed
EP-0791572-A1 SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE NIPPON SODA CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0306833-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-01-12 EP disclosed
US-5139919-A With electron donating compound or precursor and a reducible dye-forming compound; positives, storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-08-18 US disclosed
US-5075208-A Releasing a photographically useful compound upon reduction FUJI PHOTO FILM CO., LTD. (JP) 1991-12-24 US disclosed
US-5073473-A Compound that releases a nucleating agent or a uv absorber FUJI PHOTO FILM CO., LTD. (JP) 1991-12-17 US disclosed
US-5071729-A Discoloration inhibitor releasing compound FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-5064752-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1991-11-12 US disclosed
US-5049477-A Image forming, etching, plating FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed
US-4994363-A Silver halide light-sensitive material containing a compound releasing a photographically useful group FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
US-H830-H CONTAINING A DESILVERING ACCELERATOR RELEASING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1990-10-02 US disclosed
US-4956263-A BLACKAND WHITE PHOTOGRAPHIC FILM CONTAINING CONTAINING A HYDRAZINE DERIVATIVE; HIGH CONTRAST; DAYLIGHT USE; ANTISOILANTS; SAFELIGHT SAFETY FUJI PHOTO FILM CO., LTD. (JP) 1990-09-11 US disclosed
US-H817-H Photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1990-09-04 US disclosed
US-4921785-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-05-01 US disclosed
US-4916047-A POLYMERIC COMPOUND RELEASING USEFUL GROUP BY REDOX PROCESS TRIGGERED BY REDUCING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-04-10 US disclosed
US-4877720-A PHOTOGRAPHIC POLYMER WHICH UNDERGOES REDUCTION UPON DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed
US-4840887-A USEFUL GROUP RELEASED BY CLEAVAGE BETWEEN SULFONYL GROUP AND A NITROGEN, SULFUR OR OXYGEN ATOM; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-06-20 US disclosed
EP-0306833-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-03-15 EP disclosed
US-4189428-A DYEABILITY, COLORFASTNESS, RESISTANCE TO SUBLIMATION, IMPROVED BRIGHTNESS EASTMAN KODAK COMPANY (US) 1980-02-19 US disclosed
US-4140683-A DISPERSE DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1979-02-20 US disclosed
US-4049643-A DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1977-09-20 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A ALDH1A1 198/4885PTGS2 596/4885ALDH3A1 460/4885
US-20040209776-A1 Azole derivatives useful as insecticide CYP8B1, HRH2, API5 ALDH1A1 1410/4885PTGS2 2067/4885ALDH3A1 1006/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A ALDH1A1 198/4885PTGS2 596/4885ALDH3A1 460/4885
US-20070265231-A1 Hydrazide Compounds for Combating Animal Pests HRH4, CBR3, HRH2 ALDH1A1 580/4885PTGS2 2130/4885ALDH3A1 461/4885
US-20030092763-A1 Method for induction of L-selectin shedding PDIA5, PDIA4, PDIA6 ALDH1A1 1261/4885PTGS2 198/4885ALDH3A1 552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.