SCHEMBL4034393

SCHEMBL4034393

CNCc1ccc(C2=NCCN2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.44
ADRB2 P07550 1/20 0.41
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
F10 P00742 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL2239180 0.84 TAAR1 (0.42) TOP2ATOP2BKDM4EMAPT
Hydrochloric Acid SCHEMBL1935594 0.83 TAAR1 (0.41) TOP2ATOP2BKDM4EMAPT
SCHEMBL14085132 0.82 TOP2A (0.44) TOP2ATOP2BF10
SCHEMBL4035735 0.80 NCF1 (0.41) NCF1ADRB2TOP2ATOP2BLOXL2
SCHEMBL4028424 0.77 PTGS2 (0.38) F10
SCHEMBL18297326 0.77 HTT (0.41) CYP3A4MAPT
Water SCHEMBL9451273 0.76 PTAFR (0.43) TOP2ATOP2BF10
Water SCHEMBL9451270 0.76 PTAFR (0.43) TOP2ATOP2BF10
SCHEMBL8286902 0.75 PTAFR (0.46) TOP2ATOP2BF10
SCHEMBL5502730 0.74 TOP2A (0.36) TOP2ATOP2BF10

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 3 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

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 NCF1 941/4885ADRB2 2178/4885TOP2A 652/4885

“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.