SCHEMBL91278

SCHEMBL91278

O=C(O)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SRD5A2 P31213 1/20 0.47
ACP1 P24666 1/20 0.44
ALOX5 P09917 4/20 0.44
LMNA P02545 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP6 P55212 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CASR P41180 1/20 0.43

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
SCHEMBL15054592 1.00 TP53 (0.55) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL30410721 0.86 CYP3A4 (0.52) TP53ALDH1A1MAPTPOLBTDP1
SCHEMBL29944162 0.86 CYP3A4 (0.65) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL232779 0.86 TP53 (0.64) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL132541 0.86 CYP3A4 (0.65) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL2170079 0.85 CYP3A4 (0.50) TP53ALDH1A1MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL3088495 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL9133420 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL2299193 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB
SCHEMBL8060267 0.84 TP53 (0.62) TP53ALDH1A1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117317401-A Electrolyte for improving battery performance through biphase stabilization strategy and application thereof 浙江大学温州研究院 2023-12-29 CN claimed
CN-114716340-B Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2023-11-14 CN claimed
CN-114716340-A Preparation method of iopromide intermediate 杭州微流汇科技有限公司 2022-07-08 CN claimed
US-20260092051-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME HANMI PHARMACEUTICAL CO LTD (KR) 2026-04-02 US disclosed
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12325698-B2 Pyrimidine compounds and pharmaceutical compositions for preventing or treating cancers including the same HANMI PHARM. CO., LTD. (KR) 2025-06-10 US disclosed
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 CN disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
WO-2003045913-A1 BENZAMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 WO disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
EP-0408759-A1 METHOD OF OBTAINING BROMATED AROMATIC AND HETEROCYCLIC COMBINATIONS CONTAINING ACCEPTOR GROUPS ANDRIEVSKY, Alexandr Mikhailovich (SU) 1991-01-23 EP disclosed
CN-1044808-A Process for preparing brominated aromatic and heterocyclic compounds containing acceptor groups ALEXANDR MIKHAILOVICH ANDRIEVS (SU) 1990-08-22 CN disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 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-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TP53 4560/4885ALDH1A1 1136/4885MAPT 2984/4885
US-12325698-B2 Pyrimidine compounds and pharmaceutical compositions for preventing or treating cancers including the same DPYD, TYMS, TYMP TP53 32/4885ALDH1A1 360/4885MAPT 3184/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TP53 4560/4885ALDH1A1 1136/4885MAPT 2984/4885
US-20260092051-A1 PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING CANCERS INCLUDING THE SAME FLT3, FLT1, ADK TP53 340/4885ALDH1A1 1637/4885MAPT 3277/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TP53 4560/4885ALDH1A1 1136/4885MAPT 2984/4885

“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.