SCHEMBL4035735

SCHEMBL4035735

CNCc1ccc(C2=NCCN2C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.41
ADRB2 P07550 1/20 0.38
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PARP1 P09874 2/20 0.33
PTAFR P25105 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
AKT2 P31751 1/20 0.33
PARP2 Q9UGN5 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL4034393 0.80 NCF1 (0.44) NCF1ADRB2TOP2ATOP2BLOXL2
SCHEMBL23902224 0.76 PTAFR (0.39) TOP2ATOP2BPTAFR
SCHEMBL124028 0.76 POLB (0.46) PTAFR
Hydrochloric Acid SCHEMBL23880733 0.75 PTAFR (0.38) TOP2ATOP2BPTAFR
SCHEMBL5111876 0.74 MEN1 (0.42) NCF1ADRB2KDM4ECYP3A4MAPT
SCHEMBL14047408 0.71 TOP2A (0.39) TOP2ATOP2B
SCHEMBL23902286 0.70 MMP2 (0.41) MAPT
SCHEMBL12162030 0.69 GPR119 (0.41) MAPT
SCHEMBL23902197 0.67 NPC1 (0.46)
SCHEMBL13184538 0.67 KDM4E (0.59) NCF1ADRB2LOXL2NOS1NOS3

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.