SCHEMBL6045862

SCHEMBL6045862

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.49
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 3/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6045950 0.89 BDKRB1 (0.48) BDKRB1NPC1RAB9AHPGDCYP2C9
SCHEMBL6045815 0.88 BDKRB1 (0.47) BDKRB1NPC1RAB9AHPGDCYP2C9
SCHEMBL4704975 0.88 RAB9A (0.60) BDKRB1NPC1RAB9AHPGDCYP2C9
SCHEMBL14084810 0.87 SIGMAR1 (0.48) BDKRB1HPGDCYP1A2
SCHEMBL6046083 0.87 CYP1A2 (0.48) BDKRB1HPGDCYP2C9TDP1CYP1A2
SCHEMBL14084963 0.86 HDAC3 (0.47) BDKRB1NPC1RAB9AHPGDCYP2C9
SCHEMBL14084823 0.86 BDKRB1 (0.46) BDKRB1NPC1RAB9AHPGDCYP2C9
SCHEMBL4703233 0.85 BDKRB1 (0.48) BDKRB1NPC1RAB9AHPGDKMT2A
SCHEMBL6045816 0.85 BDKRB1 (0.56) BDKRB1NPC1RAB9ACYP2C9TDP1
SCHEMBL6045814 0.85 BDKRB1 (0.69) BDKRB1NPC1RAB9ACYP2C9TDP1

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 3 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-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 1/4885NPC1 1768/4885RAB9A 1576/4885

“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.