SCHEMBL1935706

SCHEMBL1935706

CN(Cc1ccc(C2=NCCCN2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.55
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
TOP2A P11388 3/20 0.49
TOP2B Q02880 3/20 0.49
BDKRB1 P46663 4/20 0.45
RUVBL1 Q9Y265 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
SCHEMBL1936162 0.92 NISCH (0.60) NISCHBDKRB1
SCHEMBL12346614 0.84 NISCH (0.47) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL11680052 0.80 NISCH (0.57) NISCHGAATSHRTOP2ATOP2B
SCHEMBL3260321 0.80 NISCH (0.61) NISCHBDKRB1
SCHEMBL18282371 0.77 NISCH (0.62) NISCHGAATSHRTOP2ATOP2B
SCHEMBL9528016 0.77 NISCH (0.54) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11682356 0.77 NISCH (0.54) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4703726 0.77 NISCH (0.58) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.76 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL3900295 0.76 NISCH (0.64) NISCHGAATSHRTOP2ATOP2B

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 7 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

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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 NISCH 2280/4885GAA 215/4885TSHR 3038/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 337/4885GAA 4560/4885TSHR 962/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NISCH 317/4885GAA 4464/4885TSHR 1030/4885

“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.