SCHEMBL918012

SCHEMBL918012

Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.64
ADORA1 P30542 7/20 0.64
ADORA3 P0DMS8 7/20 0.64
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SCD O00767 1/20 0.58
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
USP2 O75604 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CHRM5 P08912 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
ADORA2B P29275 1/20 0.54
XIAP P98170 1/20 0.53

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
SCHEMBL2753581 0.96 ADORA2A (0.61) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL2753294 0.89 ADORA3 (0.74) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL235268 0.88 ADORA3 (0.76) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL235132 0.84 ADORA2A (0.76) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL2752602 0.83 NPC1 (0.68) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL2753600 0.82 ADORA2A (0.61) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL2752593 0.81 SMN1; SMN2 (0.66) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL2753350 0.80 ADORA2A (0.74) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL206504 0.79 MAPT (0.82) ADORA2AADORA1ADORA3SMN1; SMN2NPC1
SCHEMBL13256172 0.79 SCD (0.57) ADORA2AADORA1ADORA3SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9789095-B2 Inhibitors of calcium-activated chloride channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS UNIV CALIFORNIA (US) 2015-10-15 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-06 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-20 US disclosed
WO-2009079373-A2 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 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 (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-20130143765-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 ADORA2A 2771/4885ADORA1 1867/4885ADORA3 2297/4885
US-20150290175-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 ADORA2A 2771/4885ADORA1 1867/4885ADORA3 2297/4885
US-20110015239-A1 INHIBITORS OF CALCIUM-ACTIVATED CHLORIDE CHANNELS CLCN2, CLIC1, CLIC4 ADORA2A 2724/4885ADORA1 1731/4885ADORA3 2147/4885

“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.