SCHEMBL1979491

SCHEMBL1979491

O=C(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
SRD5A2 P31213 2/20 0.69
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MAPK1 P28482 2/20 0.62
CES1 P23141 1/20 0.61
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
RAB9A P51151 1/20 0.58
TSHR P16473 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
NLRP3 Q96P20 1/20 0.56

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
SCHEMBL10723714 0.89 SRD5A2 (0.83) POLBSRD5A2LMNAGAAL3MBTL1
SCHEMBL975118 0.89 SRD5A2 (0.83) POLBSRD5A2LMNAGAAL3MBTL1
SCHEMBL6161137 0.87 MEN1 (0.62) POLBMEN1KMT2ASRD5A2LMNA
4-Nitrobenzoic Acid SCHEMBL8674796 0.86 TDP1 (0.81) POLBMEN1KMT2ASRD5A2MAPK1
SCHEMBL85535 0.85 MEN1 (0.64) POLBMEN1KMT2ALMNACES1
SCHEMBL28914440 0.83 MAPK1 (0.85) POLBSRD5A2LMNAGAAL3MBTL1
SCHEMBL8674798 0.83 KMT2A (0.65) POLBMEN1KMT2AMAPK1CES1
SCHEMBL1982760 0.83 GSK3B (0.66) POLBMEN1KMT2ASRD5A2MAPK1
SCHEMBL3571484 0.83 CES2 (0.62) POLBMEN1KMT2ALMNAGAA
SCHEMBL29768853 0.83 CES2 (0.62) POLBMEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354629-B Diaryl ethylene-naphthopyran dual photochromic compound and preparation method and application thereof 天津孚信阳光科技有限公司 2022-11-25 CN disclosed
EP-3649110-B1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG UNIV DORTMUND TECH (DE) 2021-09-08 EP disclosed
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2021-08-03 US disclosed
EP-3649110-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT Technische Universität Dortmund (DE) 2020-05-13 EP disclosed
US-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TECHNISCHE UNIVERSITAT DORTMUND (DE) 2020-04-23 US disclosed
WO-2019007710-A1 MYOBACTERIUM TUBERCULOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS AN ANTITUBERCULAR AGENT TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2019-01-10 WO disclosed
EP-3424906-A1 MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXIN REDUCTASE INHIBITOR AS ANTITUBERCULOSIS DRUG Technische Universität Dortmund (DE) 2019-01-09 EP disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
WO-2006136821-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136837-A2 PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
EP-1706385-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS Astex Therapeutics Limited (GB) 2006-10-04 EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 WO disclosed
US-5599993-A USED FOR ENDCAPPING POLYIMIDES WITH EXCELLENT SOLVENT AND CHEMICAL RESISTANCE, HIGH STRENGTH AND MODULUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1997-02-04 US disclosed
US-5412066-A Adhesives THER UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-05-02 US disclosed
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 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-20200123130-A1 Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent TXNRD1, TXNRD3, TXNRD2 POLB 1169/4885MEN1 2540/4885KMT2A 3070/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 POLB 2473/4885MEN1 3759/4885KMT2A 1820/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 POLB 2473/4885MEN1 3759/4885KMT2A 1820/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 POLB 1863/4885MEN1 2293/4885KMT2A 1569/4885
US-11078185-B2 Mycobacterium tuberculosis—thioredoxin reductase inhibitor as an antitubercular agent TXNRD3, TXNRD1, TXN POLB 1960/4885MEN1 3557/4885KMT2A 2511/4885

“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.