SCHEMBL6047124

SCHEMBL6047124

O=C(Nc1c(Br)c(C(=O)N[C@@H]2CCCCNC2=O)nn1-c1ccccc1)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.61
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.47
RIPK1 Q13546 5/20 0.44
CHEK1 O14757 1/20 0.42
RAB9A P51151 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL14084773 1.00 BDKRB1 (0.61) BDKRB1ALDH1A1KDM4ERIPK1CHEK1
SCHEMBL14084995 0.88 BDKRB1 (0.63) BDKRB1ALDH1A1KDM4ECHEK1RAB9A
SCHEMBL4705179 0.87 BDKRB1 (0.56) BDKRB1ALDH1A1KDM4ERIPK1CHEK1
SCHEMBL6046081 0.81 BDKRB1 (0.56) BDKRB1ALDH1A1
SCHEMBL6045899 0.80 BDKRB1 (0.71) BDKRB1ALDH1A1KDM4ECHEK1RAB9A
SCHEMBL6045827 0.80 BDKRB1 (0.71) BDKRB1ALDH1A1KDM4ECHEK1RAB9A
SCHEMBL3129480 0.77 BDKRB1 (0.59) BDKRB1ALDH1A1
SCHEMBL4705164 0.77 BDKRB1 (0.51) BDKRB1ALDH1A1KDM4ECHEK1
SCHEMBL4701967 0.77 BDKRB1 (0.57) BDKRB1ALDH1A1KDM4ECHEK1RAB9A
SCHEMBL6046046 0.76 BDKRB1 (1.00) BDKRB1ALDH1A1KDM4E

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-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 1/4885ALDH1A1 2017/4885KDM4E 2152/4885

“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.