SCHEMBL398996

SCHEMBL398996

Nc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.62
ALDH1A1 P00352 6/20 0.62
CYP3A4 P08684 4/20 0.62
TSHR P16473 3/20 0.60
GAA P10253 2/20 0.60
THRB P10828 1/20 0.60
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPRC P08575 1/20 0.48
S100A4 P26447 1/20 0.48
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46

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
SCHEMBL31219515 0.85 ALDH1A1 (0.64) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL1181388 0.85 ALDH1A1 (0.64) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL29353815 0.82 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL78293 0.82 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
Nitrogen SCHEMBL28796008 0.82 ALDH1A1 (0.60) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL4970698 0.81 SMN1; SMN2 (0.50) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL3277269 0.80 PTPRC (0.54) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL30317899 0.80 PTPRC (0.54) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL31435677 0.80 CYP3A4 (0.67) TDP1ALDH1A1CYP3A4TSHRGAA
Hydrochloric Acid SCHEMBL970605 0.80 CYP3A4 (0.67) TDP1ALDH1A1CYP3A4TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-105646234-A 2-bromo-5-nitrophenylamine and preparation method thereof 叶芳 2016-06-08 CN claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4736854-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS Bristol-Myers Squibb Company (US) 2026-05-06 EP disclosed
EP-4514473-B1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL MYERS SQUIBB CO (US) 2026-02-18 EP disclosed
EP-4683909-A2 ATM KINASE INHIBITORS Eberhard Karls Universität Tübingen (DE) 2026-01-28 EP disclosed
US-20260015328-A1 ATM KINASE INHIBITORS EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2026-01-15 US disclosed
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 EP disclosed
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BEIGENE SWITZERLAND GMBH (CH) 2025-11-06 US disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
EP-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0081157-B1 PROCESS FOR THE PREPARATION OF N-NITROARYL-NITROARYL CARBOXAMIDES BAYER AG (DE) 1985-01-02 EP disclosed
EP-0081157-A1 Process for the preparation of N-nitroaryl-nitroaryl carboxamides BAYER AG (DE) 1983-06-15 EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 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 (2 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-20260015328-A1 ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 TDP1 265/4885ALDH1A1 4484/4885CYP3A4 4323/4885
US-20250340560-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINES AS BRUTON'S TYROSINE KINASE MODULATORS BTK, LCK, SYK TDP1 303/4885ALDH1A1 3106/4885CYP3A4 2500/4885

“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.