SCHEMBL3797478

SCHEMBL3797478

O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl)NCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.52
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL4552700 0.89 BDKRB1 (0.53) BDKRB1ALDH1A1POLB
SCHEMBL4428214 0.88 BDKRB1 (0.60) BDKRB1ALDH1A1KDM4EPOLB
SCHEMBL4431539 0.88 BDKRB1 (0.60) BDKRB1ALDH1A1KDM4EPOLB
SCHEMBL4425750 0.87 BDKRB1 (0.52) BDKRB1ALDH1A1MAPTKDM4ELMNA
SCHEMBL4420949 0.83 BDKRB1 (0.45) BDKRB1ALDH1A1POLBKMT2AMEN1
SCHEMBL4432624 0.82 BDKRB1 (0.54) BDKRB1ALDH1A1POLB
SCHEMBL4421147 0.82 BDKRB1 (0.55) BDKRB1ALDH1A1POLB
SCHEMBL13598888 0.82 BDKRB1 (0.55) BDKRB1ALDH1A1POLB
SCHEMBL4429685 0.82 BDKRB1 (0.62) BDKRB1ALDH1A1KDM4EPOLB
SCHEMBL4420070 0.80 BDKRB1 (0.71) BDKRB1ALDH1A1MAPTKDM4ELMNA

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 9 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
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
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-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives 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 BDKRB1 2/4885ALDH1A1 3104/4885MAPT 4721/4885
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885ALDH1A1 2364/4885MAPT 4735/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK BDKRB1 2/4885ALDH1A1 2366/4885MAPT 4676/4885

“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.