SCHEMBL6045817

SCHEMBL6045817

O=C(Nc1n[nH]c(C(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c1Br)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.68
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
NR2E3 Q9Y5X4 4/20 0.45
PRSS12 P56730 1/20 0.45

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 0.85 BDKRB1 (0.48) BDKRB1KDM4ELMNANR2E3PRSS12
SCHEMBL6045905 0.76 PRSS12 (0.45) BDKRB1NR2E3PRSS12
SCHEMBL4706298 0.72 PRSS12 (0.43) BDKRB1NR2E3PRSS12
SCHEMBL5879588 0.72 MMP2 (0.62) KDM4ELMNA
SCHEMBL4032813 0.71 BDKRB1 (0.80) BDKRB1
SCHEMBL14507365 0.70 BDKRB1 (0.78) BDKRB1
SCHEMBL22488977 0.68 PDE10A (0.57) NR2E3
SCHEMBL4704975 0.67 RAB9A (0.60) BDKRB1KDM4ELMNA
SCHEMBL6045816 0.67 BDKRB1 (0.56) BDKRB1LMNA
SCHEMBL14084982 0.67 LMNA (0.72) BDKRB1KDM4ELMNA

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 1/4885KDM4E 2152/4885LMNA 2720/4885

“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.