SCHEMBL4036965

SCHEMBL4036965

CNCc1ccc(C2=NCCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 13/20 0.61
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
TOP2A P11388 4/20 0.54
TOP2B Q02880 4/20 0.54
HTR1D P28221 1/20 0.44
ADRA1A P35348 1/20 0.44

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
Hydrochloric Acid SCHEMBL1935815 0.98 NISCH (0.59) NISCHGAATSHRTOP2ATOP2B
SCHEMBL2242209 0.90 NISCH (0.68) NISCHTOP2ATOP2BHTR1DADRA1A
Hydrochloric Acid SCHEMBL2240002 0.89 NISCH (0.66) NISCHTOP2ATOP2BHTR1DADRA1A
Hydrochloric Acid SCHEMBL15514136 0.89 NISCH (0.66) NISCHTOP2ATOP2BHTR1DADRA1A
Hydrochloric Acid SCHEMBL2238276 0.89 NISCH (0.66) NISCHTOP2ATOP2BHTR1DADRA1A
SCHEMBL13327264 0.81 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL18282371 0.79 NISCH (0.62) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23901774 0.79 NISCH (0.53) NISCHGAATSHRTOP2ATOP2B
SCHEMBL23902290 0.76 NISCH (0.50) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11462790 0.76 NISCH (1.00) 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 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 NISCH 2280/4885GAA 215/4885TSHR 3038/4885

“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.