SCHEMBL4037830

SCHEMBL4037830

NCCCc1ccc(C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.52
PLA2G2A P14555 1/20 0.52
PARP10 Q53GL7 4/20 0.48
ESR1 P03372 2/20 0.47
CYP19A1 P11511 2/20 0.47
ESR2 Q92731 2/20 0.47
CYP17A1 P05093 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
MAOA P21397 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL2861358 0.87 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1ALDH1A1
Hydrochloric Acid SCHEMBL30503518 0.85 BLM (0.56) PLA2G10PLA2G2APARP10CYP17A1ALDH1A1
Hydrochloric Acid SCHEMBL2386467 0.85 BLM (0.56) PLA2G10PLA2G2APARP10CYP17A1ALDH1A1
SCHEMBL5105933 0.83 OPRM1 (0.50) PLA2G10PLA2G2APARP10OPRM1OPRD1
SCHEMBL6797264 0.83 RARB (0.59) ESR1CYP19A1ESR2ALDH1A1KMT2A
SCHEMBL6933368 0.83 CYP4A11 (0.59) PLA2G10PLA2G2APARP10CYP17A1ALDH1A1
Terephthalamide SCHEMBL2427678 0.82 PARP10 (0.50) PLA2G10PLA2G2APARP10ALDH1A1KMT2A
Terephthalamide SCHEMBL549164 0.82 PARP10 (0.50) PLA2G10PLA2G2APARP10ALDH1A1KMT2A
Terephthalamide SCHEMBL29162705 0.82 PARP10 (0.50) PLA2G10PLA2G2APARP10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11111164 0.82 RARB (0.58) ESR1CYP19A1ESR2ALDH1A1KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-20220165952-A1 NANOPARTICLE, METHOD FOR PATTERNING NANOPARTICLE LAYER AND LIGHT EMITTING DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-05-26 US disclosed
CN-110041273-A 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed
US-9716235-B2 9,10-bis[2-(p-substituted phenyl)pyrimidin-4-yl] anthracene compounds, methods of preparing the same, organic electroluminescent devices and organic electroluminescent display apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-07-25 US disclosed
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-30 US disclosed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
EP-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 EP disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0047536-B1 SUBSTITUTED PROPYLAMINES ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed
EP-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP disclosed
EP-0062827-A2 Novel benzamide derivatives KYOWA HAKKO KOGYO CO., LTD (JP) 1982-10-20 EP disclosed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 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 (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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R PLA2G10 2436/4885PLA2G2A 1450/4885PARP10 1241/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 PLA2G10 2900/4885PLA2G2A 2092/4885PARP10 1034/4885
US-20150214487-A1 9,10-Bis[2-(p-substituted phenyl)pyrimidin-4-yl] Anthracene Compounds, Methods of Preparing the Same, Organic Electroluminescent Devices and Organic Electroluminescent Display Apparatus P2RY10, P2RY4, APRT PLA2G10 883/4885PLA2G2A 1433/4885PARP10 254/4885

“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.