SCHEMBL199359

SCHEMBL199359

Nc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TDP1 Q9NUW8 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.44
GPR35 Q9HC97 1/20 0.42
VCAM1 P19320 1/20 0.42

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
SCHEMBL29665784 1.00 MAPT (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL6505797 0.98 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL564506 0.91 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL30110723 0.91 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL14247146 0.89 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8095561 0.89 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8698196 0.84 TDP1 (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL7521966 0.84 TSHR (0.77) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL5949104 0.84 TSHR (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL2315347 0.84 MAPT (0.46) MAPTTDP1ALDH1A1MEN1KMT2A

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 429 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843639-A 3- [7- (2-carboxyl-2-cyanovinyl) -5, 6-difluoro- [1,10] phenanthroline-4-yl ] -2-cyanoacrylate, preparation method and application thereof 湘潭大学 2024-04-09 CN claimed
CN-117820225-A 3- (8-amino-5, 6-difluoro-4-quinolyl) -2-cyanoacrylate, and preparation method and application thereof 湘潭大学 2024-04-05 CN claimed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN claimed
CN-110551072-A quinoxaline-N 1, N 4 -dioxide derivative with DNA topoisomerase activity inhibition function, preparation method and application UNIV HUAZHONG AGRICULTURAL 2019-12-10 CN claimed
US-20180355099-A1 Fluorinated Benzoxadiazole-Based Donor-Acceptor Polymers for Electronic and Photonic Applications THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-12-13 US claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LTD (HK) 2026-04-09 US disclosed
US-12458642-B2 Metalloenzyme inhibitor compounds CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2025-11-04 US disclosed
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2025-06-19 US disclosed
EP-3848370-B1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2025-05-07 EP disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
WO-2024248096-A1 VINYLENE CROSSLINKED QUINOXALINE DERIVATIVE AND π-CONJUGATED POLYMER OBTAINED BY USING SAME 国立大学法人 岡山大学 2024-12-05 WO disclosed
EP-0230946-A2 Process for the preparation of quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-08-05 EP disclosed
EP-0230947-A1 Halogenobenzoic acid derivatives and their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-08-05 EP disclosed
EP-0230948-A2 Benzoylacetic acid ester derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-08-05 EP disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP 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-12458642-B2 Metalloenzyme inhibitor compounds CYP11B2, CYP11B1, HSD11B2 MAPT 2593/4885TDP1 2721/4885ALDH1A1 232/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAPT 353/4885TDP1 1246/4885ALDH1A1 4148/4885
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 MAPT 4827/4885TDP1 3209/4885ALDH1A1 3545/4885
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CPN1, TPP1, DPP4 MAPT 2173/4885TDP1 692/4885ALDH1A1 189/4885
US-20180355099-A1 Fluorinated Benzoxadiazole-Based Donor-Acceptor Polymers for Electronic and Photonic Applications FTO, PPOX, FOXO3 MAPT 37/4885TDP1 956/4885ALDH1A1 1862/4885

“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.