SCHEMBL6045950

SCHEMBL6045950

CC(=O)NCCNC(=O)c1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.48
HPGD P15428 2/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
F2 P00734 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6045862 0.89 BDKRB1 (0.49) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL6046083 0.87 CYP1A2 (0.48) BDKRB1HPGDCYP2C9TDP1F2
SCHEMBL14084823 0.86 BDKRB1 (0.46) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL4704975 0.86 RAB9A (0.60) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL6045815 0.86 BDKRB1 (0.47) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL14084810 0.85 SIGMAR1 (0.48) BDKRB1HPGDALDH1A1
SCHEMBL14040677 0.85 BDKRB1 (0.55) BDKRB1CYP2C9TDP1NPC1RAB9A
SCHEMBL14084963 0.84 HDAC3 (0.47) BDKRB1HPGDCYP2C9TDP1NPC1
SCHEMBL4706222 0.84 BDKRB1 (0.50) BDKRB1HPGDF2MAPTKMT2A

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 1/4885HPGD 797/4885CYP2C9 436/4885

“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.