SCHEMBL6045997

SCHEMBL6045997

COc1cc(CCNC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GFER P55789 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NOX4 Q9NPH5 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
SCHEMBL4705797 0.89 BDKRB1 (0.44) BDKRB1MAPTHPGDTSHRMAPK1
SCHEMBL6045816 0.85 BDKRB1 (0.56) BDKRB1MAPTALDH1A1GFERSMN1; SMN2
SCHEMBL14040677 0.84 BDKRB1 (0.55) BDKRB1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4704975 0.84 RAB9A (0.60) BDKRB1MAPTHPGDALDH1A1KDM4E
SCHEMBL6045814 0.81 BDKRB1 (0.69) BDKRB1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6045934 0.80 BDKRB1 (0.53) BDKRB1MAPTHPGDALDH1A1KDM4E
SCHEMBL6045950 0.79 BDKRB1 (0.48) BDKRB1MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL14507358 0.79 GRM4 (0.48) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL6045862 0.79 BDKRB1 (0.49) BDKRB1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL6045905 0.77 PRSS12 (0.45) BDKRB1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-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 1/4885MAPT 3561/4885HPGD 797/4885

“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.