SCHEMBL1936166

SCHEMBL1936166

O=C(O)NCCc1ccc(C2=NCCN2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.58
PPARG P37231 1/20 0.52
BDKRB1 P46663 4/20 0.47
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 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
SCHEMBL3260324 0.92 NISCH (0.60) NISCHPPARGBDKRB1BLMTDP1
SCHEMBL5124715 0.89 NISCH (0.48) NISCHPPARGBDKRB1
SCHEMBL15514295 0.86 NISCH (0.56) NISCHPPARGBLMTDP1LMNA
SCHEMBL1725485 0.81 NISCH (0.53) NISCHPPARGBDKRB1
SCHEMBL5125919 0.81 NISCH (0.51) NISCHPPARGTDP1LMNARECQL
SCHEMBL5124127 0.80 NISCH (0.53) NISCHPPARGLMNA
SCHEMBL1935161 0.80 NISCH (0.69) NISCHLMNARECQL
SCHEMBL1935524 0.80 NISCH (0.48) NISCHPPARGBDKRB1TDP1
Hydrochloric Acid SCHEMBL2239536 0.78 NISCH (0.68) NISCHLMNARECQL
Hydrochloric Acid SCHEMBL1935805 0.78 NISCH (0.68) NISCHLMNARECQL

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-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 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 (4 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 NISCH 2280/4885PPARG 385/4885BDKRB1 1217/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 337/4885PPARG 4773/4885BDKRB1 1/4885
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB NISCH 4808/4885PPARG 1475/4885BDKRB1 481/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 317/4885PPARG 4780/4885BDKRB1 1/4885

“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.