SCHEMBL6045934

SCHEMBL6045934

N#Cc1ccc(CCNC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.53
RAB9A P51151 7/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ITK Q08881 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4704975 0.89 RAB9A (0.60) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045816 0.89 BDKRB1 (0.56) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL14040677 0.88 BDKRB1 (0.55) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL4705722 0.88 BDKRB1 (0.48) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045814 0.87 BDKRB1 (0.69) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6046042 0.83 BDKRB1 (0.52) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045862 0.82 BDKRB1 (0.49) BDKRB1RAB9ANPC1KMT2ACYP2C9
SCHEMBL6045883 0.82 BDKRB1 (0.50) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL14507332 0.80 BDKRB1 (0.48) BDKRB1RAB9ANPC1MEN1KMT2A
SCHEMBL6045950 0.80 BDKRB1 (0.48) BDKRB1RAB9ANPC1KMT2ACYP2C9

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 5 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-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-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 1/4885RAB9A 1576/4885NPC1 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.