SCHEMBL3587631

SCHEMBL3587631

O=C(Nc1nc(-c2ccccc2)c(C(=O)O)s1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.82
SMN1; SMN2 Q16637 5/20 0.80
KMT2A Q03164 3/20 0.80
NPC1 O15118 2/20 0.80
ALDH1A1 P00352 1/20 0.80
RAB9A P51151 1/20 0.80
ADORA1 P30542 11/20 0.70
ADORA2A P29274 8/20 0.70
NPSR1 Q6W5P4 4/20 0.67
KDM4E B2RXH2 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.60
LMNA P02545 1/20 0.60
MEN1 O00255 1/20 0.57
ADORA2B P29275 1/20 0.57

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
SCHEMBL978340 0.89 ADORA3 (0.78) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL235132 0.87 ADORA2A (0.76) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL15064944 0.84 KMT2A (0.70) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL3590806 0.83 ADORA3 (0.69) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL23797827 0.83 ADORA3 (1.00) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL544501 0.82 ADORA3 (0.68) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL17107156 0.82 ALDH1A1 (0.79) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL3580925 0.82 KMT2A (0.78) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL7146818 0.81 ADORA3 (0.56) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL3584743 0.81 ADORA3 (0.58) ADORA3SMN1; SMN2KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
CN-101208089-A Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2008-06-25 CN disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 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 (2 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ADORA3 2751/4885SMN1; SMN2 1323/4885KMT2A 1897/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ADORA3 2747/4885SMN1; SMN2 1277/4885KMT2A 1901/4885

“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.