SCHEMBL145505

SCHEMBL145505

NC(=O)c1ccc(F)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.48
DGAT1 O75907 1/20 0.46
AR P10275 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CTSL P07711 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ERN1 O75460 1/20 0.42
LCK P06239 1/20 0.42
SLC9A1 P19634 1/20 0.42
MAOB P27338 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31537525 1.00 PARP1 (0.48) PARP1DGAT1ARCES2CES1
SCHEMBL356759 0.83 KIF11 (0.49) PARP1DGAT1ARCES2CES1
SCHEMBL30817696 0.83 ALDH1A1 (0.52) CES2CES1CTSLNPC1RAB9A
SCHEMBL9215548 0.81 NPC1 (0.47) CES2CES1CTSLNPC1RAB9A
SCHEMBL104151 0.81 TTR (0.50) CES2CES1NPC1RAB9AMAOB
SCHEMBL10555693 0.81 CES2 (0.45) CES2CES1CTSLNPC1RAB9A
SCHEMBL31302316 0.81 TTR (0.50) CES2CES1NPC1RAB9AMAOB
SCHEMBL289633 0.80 CES2 (0.67) PARP1ARCES2CES1RAB9A
SCHEMBL29781365 0.80 CES2 (0.67) PARP1ARCES2CES1RAB9A
SCHEMBL27557037 0.80 PARP1 (0.54) PARP1LCKCA2TSHRAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 US claimed
EP-2188289-A2 (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION Lexicon Pharmaceuticals, Inc. (US) 2010-05-26 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
WO-2009021169-A2 (7H-PYRR0L0 [2, 3-D] PYRIMIDIN-4-YL) -PIPERAZINES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATION LEXICON PHARMACEUTICALS, INC. (US) 2009-02-12 WO claimed
EP-0044002-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUOROBENZALDEHYDE (-ACETALS),3-BROMO- 4-FLUORO-BENZOIC ACID NITRILE AND ITS PREPARATION BAYER AG (DE) 1983-07-20 EP claimed
US-4383949-A Preparation of 3-bromo-4-fluorobenzaldehyde and its acetals BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 US claimed
CN-120058445-A Method for generating aryl phenol compound by hydroxylation of uranium photocatalytic aryl fluorine compound and application of method 华东师范大学 2025-05-30 CN disclosed
US-12162878-B2 BRD4 inhibitor as well as a preparative method and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2024-12-10 US disclosed
CN-118439937-A Synthetic method of 4-fluoro-3-phenoxybenzaldehyde serving as key intermediate of insect repellent 康龙化成(绍兴)药业有限公司 2024-08-06 CN disclosed
US-20240226114-A1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2024-07-11 US disclosed
CN-110776508-B BRD4 inhibitor and preparation method and application thereof 海创药业股份有限公司 2021-07-16 CN disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
US-4383949-A Preparation of 3-bromo-4-fluorobenzaldehyde and its acetals BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 US disclosed
US-4383949-A Preparation of 3-bromo-4-fluorobenzaldehyde and its acetals BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 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 (4 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-12162878-B2 BRD4 inhibitor as well as a preparative method and use thereof BICRA, BRD4, BRDT PARP1 180/4885DGAT1 3262/4885AR 10/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 PARP1 2262/4885DGAT1 4776/4885AR 3909/4885
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 PARP1 2823/4885DGAT1 1333/4885AR 532/4885
US-20240226114-A1 INHIBITORS AND USES THEREOF KEAP1, NQO1, NFE2L2 PARP1 2507/4885DGAT1 1939/4885AR 3318/4885

“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.