SCHEMBL14448705

SCHEMBL14448705

O=C(Nc1[nH]nc(C(=O)NC(C(=O)O)c2ccccc2)c1Br)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.57
SMO Q99835 1/20 0.42
HPGD P15428 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FPR2 P25090 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5823069 1.00 BDKRB1 (0.57) BDKRB1SMOHPGDCCNA2CDK2
SCHEMBL6513485 0.92 BDKRB1 (0.69) BDKRB1SMOHPGDCCNA2CDK2
SCHEMBL4703867 0.90 BDKRB1 (0.54) BDKRB1SMOHPGDCCNA2CDK2
SCHEMBL6510482 0.90 BDKRB1 (0.70) BDKRB1SMOHPGDF2MAPT
SCHEMBL14448704 0.90 BDKRB1 (0.70) BDKRB1SMOHPGDF2MAPT
SCHEMBL6512274 0.90 BDKRB1 (0.55) BDKRB1SMOHPGDF2MAPT
SCHEMBL5794807 0.90 BDKRB1 (0.70) BDKRB1SMOHPGDF2MAPT
SCHEMBL14084803 0.87 BDKRB1 (0.68) BDKRB1SMOHPGDKMT2ASMN1; SMN2
SCHEMBL14084789 0.87 BDKRB1 (0.68) BDKRB1SMOHPGDKMT2ASMN1; SMN2
SCHEMBL6514382 0.86 BDKRB1 (0.56) BDKRB1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 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 (1 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-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 BDKRB1 1/4885SMO 4407/4885HPGD 604/4885

“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.