SCHEMBL2199368

SCHEMBL2199368

O=C(Br)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.72
CES1 P23141 1/20 0.72
TP53 P04637 1/20 0.70
ALDH1A1 P00352 5/20 0.68
TSHR P16473 4/20 0.68
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
RXFP1 Q9HBX9 1/20 0.55
THRA P10827 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
BLM P54132 1/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54

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
Dinitrophenylene SCHEMBL27837226 0.89 CES2 (0.68) CES2CES1TP53ALDH1A1TSHR
SCHEMBL31374765 0.84 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL181572 0.84 CES2 (0.78) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2156825 0.84 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL27871499 0.83 CES2 (0.65) CES2CES1TP53ALDH1A1TSHR
SCHEMBL4657785 0.83 CES2 (0.70) CES2CES1TP53ALDH1A1TSHR
SCHEMBL29490968 0.82 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8962468 0.82 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2170995 0.82 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL27709081 0.82 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117996173-A Cellulose derivative-based solid electrolyte and preparation method and application thereof 中国科学院化学研究所 2024-05-07 CN claimed
CN-119192005-A Diamine monomer and preparation method thereof, polyimide material and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-27 CN disclosed
CN-117996173-A Cellulose derivative-based solid electrolyte and preparation method and application thereof 中国科学院化学研究所 2024-05-07 CN disclosed
US-11760738-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor United States of America as represented by the Adminstrator of NASA (US) 2023-09-19 US disclosed
CN-113527680-B Polymer, photosensitive resin composition, pattern forming method, cured film, and electronic component 信越化学工业株式会社 2023-04-28 CN disclosed
EP-3896521-B1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD, METHOD OF FORMING CURED FILM, INTERLAYER INSULATING FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT SHINETSU CHEMICAL CO (JP) 2022-12-14 EP disclosed
US-11333975-B2 Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-05-17 US disclosed
US-20220017479-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2022-01-20 US disclosed
CN-113527680-A Polymer, photosensitive resin composition, pattern forming method, cured film, and electronic component 信越化学工业株式会社 2021-10-22 CN disclosed
EP-3896521-A1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD, METHOD OF FORMING CURED FILM, INTERLAYER INSULATING FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT Shin-Etsu Chemical Co., Ltd. (JP) 2021-10-20 EP disclosed
US-20070154431-A1 Novel polymers and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-07-05 US disclosed
EP-1719794-A1 NOVEL POLYMERS AND USES THEREOF Mitsui Takeda Chemicals, Inc. (JP) 2006-11-08 EP disclosed
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO disclosed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed
US-5130481-A BIS-N,N' NITRO OR AMINO BENZOYL AMINO PHENOLS HOECHST CELANESE CORPORATION (US) 1992-07-14 US disclosed
US-5072046-A Monomers for polyimides, polyamides and poly-urethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-12-10 US disclosed
EP-0387060-A2 Bis-N,N' nitro or amino benzoyl aminophenols HOECHST CELANESE CORPORATION (US) 1990-09-12 EP disclosed
US-3970671-A XANTHENE, PRESSURE SENSITIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1976-07-20 US disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 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 (3 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-20070154431-A1 Novel polymers and uses thereof RAD54L, VCL, TYR CES2 2443/4885CES1 2902/4885TP53 3952/4885
US-11760738-B2 Anisotropic copoly(imide oxetane) coatings and articles of manufacture, copoly(imide oxetane)s containing pendant fluorocarbon moieties, oligomers and processes therefor MACF1, OR51E2, FOS CES2 3874/4885CES1 3775/4885TP53 3184/4885
US-20220017479-A1 ANISOTROPIC COPOLY(IMIDE OXETANE) COATINGS AND ARTICLES OF MANUFACTURE, COPOLY(IMIDE OXETANE)S CONTAINING PENDANT FLUOROCARBON MOIETIES, OLIGOMERS AND PROCESSES THEREFOR MACF1, OR51E2, FOS CES2 3874/4885CES1 3775/4885TP53 3184/4885

“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.