SCHEMBL6045905

SCHEMBL6045905

O=C(Nc1[nH]nc(C(=O)NCCc2ccc3[nH]c(-c4ccccc4)nc3c2)c1Br)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS12 P56730 1/20 0.45
BDKRB1 P46663 1/20 0.45
NR2E3 Q9Y5X4 13/20 0.44
PDE10A Q9Y233 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
FOXO1 Q12778 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL14019289 0.90 BDKRB1 (0.48) PRSS12BDKRB1NR2E3PDE10ARAB9A
SCHEMBL4706298 0.89 PRSS12 (0.43) PRSS12BDKRB1NR2E3PDE10AFOXO1
SCHEMBL4704975 0.83 RAB9A (0.60) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045816 0.80 BDKRB1 (0.56) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL14040677 0.79 BDKRB1 (0.55) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045814 0.78 BDKRB1 (0.69) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045934 0.77 BDKRB1 (0.53) BDKRB1RAB9ANPC1MEN1GAA
SCHEMBL6045997 0.77 BDKRB1 (0.47) BDKRB1RAB9ANPC1MEN1KMT2A
SCHEMBL6045862 0.76 BDKRB1 (0.49) BDKRB1RAB9ANPC1KMT2A
SCHEMBL6045817 0.76 BDKRB1 (0.68) PRSS12BDKRB1NR2E3

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 PRSS12 1451/4885BDKRB1 1/4885NR2E3 1376/4885

“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.