SCHEMBL6045875

SCHEMBL6045875

O=C(Nc1cc(C(=O)NCCC2CCN(c3ccncc3)CC2)n[nH]1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.55
CXCR3 P49682 1/20 0.48
F10 P00742 3/20 0.46
POLB P06746 1/20 0.46
ACHE P22303 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4713599 0.85 ACHE (0.59) BDKRB1CXCR3F10POLBACHE
SCHEMBL5631292 0.82 CXCR3 (0.55) BDKRB1CXCR3F10ACHEGSK3B
SCHEMBL14084954 0.77 BDKRB1 (0.62) BDKRB1F10
SCHEMBL4717773 0.76 BDKRB1 (0.56) BDKRB1F10ACHEGSK3B
SCHEMBL14587870 0.74 BDKRB1 (0.53) BDKRB1F10
SCHEMBL4761371 0.74 BDKRB1 (0.68) BDKRB1F10ACHEGSK3B
SCHEMBL4711922 0.73 BDKRB1 (0.60) BDKRB1F10ACHEGSK3BNPC1
SCHEMBL4716746 0.72 F10 (0.56) BDKRB1F10
SCHEMBL6046071 0.71 BDKRB1 (0.68) BDKRB1
SCHEMBL4716743 0.71 BDKRB1 (0.59) BDKRB1F10

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 1/4885CXCR3 808/4885F10 2137/4885

“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.