SCHEMBL4428843

SCHEMBL4428843

Cc1ccnc(N2CCC(CCNC(=O)C[C@@H]3C(=O)Nc4ccccc4N3S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.48
BDKRB1 P46663 17/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SMO Q99835 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
SCHEMBL4420949 0.91 BDKRB1 (0.45) BDKRB1ALDH1A1POLB
SCHEMBL4418930 0.91 CHRM4 (0.46) CHRM4BDKRB1ALDH1A1POLBSMO
SCHEMBL4422456 0.89 BDKRB1 (0.44) BDKRB1ALDH1A1POLB
SCHEMBL4426181 0.87 BDKRB1 (0.44) CHRM4BDKRB1ALDH1A1POLBSMO
SCHEMBL4420614 0.84 BDKRB1 (0.46) BDKRB1ALDH1A1POLBSMO
SCHEMBL5561874 0.81 BDKRB1 (0.46) BDKRB1ALDH1A1POLB
SCHEMBL4417549 0.80 BDKRB1 (0.40) BDKRB1
SCHEMBL4422294 0.79 BDKRB1 (0.45) BDKRB1ALDH1A1POLBSMO
SCHEMBL4422021 0.79 BDKRB1 (0.48) BDKRB1ALDH1A1POLB
SCHEMBL4418913 0.78 BDKRB1 (0.48) BDKRB1ALDH1A1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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 (3 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CHRM4 1178/4885BDKRB1 2/4885ALDH1A1 3104/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 CHRM4 1176/4885BDKRB1 2/4885ALDH1A1 2364/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CHRM4 1254/4885BDKRB1 2/4885ALDH1A1 2366/4885

“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.