SCHEMBL4703233

SCHEMBL4703233

O=C(Nc1[nH]nc(C(=O)NCc2ccccc2)c1Br)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.48
PPARG P37231 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14084862 0.93 BDKRB1 (0.56) BDKRB1ALDH1A1HTTPOLBHPGD
SCHEMBL14084856 0.90 GAA (0.56) BDKRB1SMN1; SMN2KMT2AALDH1A1USP2
SCHEMBL4704975 0.89 RAB9A (0.60) BDKRB1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4704158 0.86 CHRM3 (0.41) BDKRB1PPARGSMN1; SMN2ALDH1A1USP2
SCHEMBL6045862 0.85 BDKRB1 (0.49) BDKRB1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14084860 0.85 HPGD (0.64) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL4705213 0.85 BDKRB1 (0.45) BDKRB1PPARGNPC1RAB9ASMN1; SMN2
SCHEMBL6045912 0.85 BDKRB1 (0.49) BDKRB1PPARGKMT2AALDH1A1USP2
SCHEMBL3789664 0.85 BDKRB1 (0.55) BDKRB1SMN1; SMN2KMT2APOLBHPGD
SCHEMBL4034072 0.84 BDKRB1 (0.64) BDKRB1NPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885PPARG 2188/4885NPC1 1217/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL BDKRB1 3131/4885PPARG 706/4885NPC1 2838/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BDKRB1 1/4885PPARG 377/4885NPC1 1768/4885

“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.