SCHEMBL4032698

SCHEMBL4032698

CNCc1ccc(C2=NCC(C)(C)N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
ADRB2 P07550 1/20 0.41
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
AKT2 P31751 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
NCF1 P14598 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
NPY5R Q15761 3/20 0.36
NISCH Q9Y2I1 3/20 0.35
PARP1 P09874 3/20 0.35
NOS1 P29475 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL2237656 0.83 ADRB2 (0.41) AOC3ADRB2PRKACAPRKACGPRKACB
SCHEMBL1936103 0.81 AOC3 (0.44) AOC3ALDH1A1
SCHEMBL1936038 0.80 AOC3 (0.53) AOC3ADRB2AKT2LOXL2NPY5R
SCHEMBL1935927 0.77 AOC3 (0.51) AOC3AKT2LOXL2KDM4ENISCH
Hydrochloric Acid SCHEMBL1936768 0.76 AOC3 (0.50) AOC3AKT2NISCHNOS1NOS3
SCHEMBL1936148 0.73 AOC3 (0.42) AOC3KDM4EMAPT
SCHEMBL2242209 0.72 NISCH (0.68) NISCH
Hydrochloric Acid SCHEMBL15514136 0.71 NISCH (0.66) NISCH
Hydrochloric Acid SCHEMBL2240002 0.71 NISCH (0.66) NISCH
Hydrochloric Acid SCHEMBL2238276 0.71 NISCH (0.66) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP 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
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 WO 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 AOC3 1962/4885ADRB2 2178/4885PRKACA 785/4885

“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.