SCHEMBL3584743

SCHEMBL3584743

Nc1nc(NC(=O)c2ccccc2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.58
CCNA2 P20248 6/20 0.57
CDK2 P24941 6/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 4/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 2/20 0.56
CDK5 Q00535 2/20 0.56
CDK5R1 Q15078 2/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
MAPK14 Q16539 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL3583702 0.86 NPC1 (0.58) ADORA3CCNA2CDK2NPC1RAB9A
SCHEMBL7753414 0.84 GSK3B (0.69) ADORA3CCNA2CDK2NPC1RAB9A
SCHEMBL3576863 0.83 SCD (0.56) ADORA3CCNA2CDK2NPC1RAB9A
SCHEMBL3584915 0.82 ADORA3 (0.58) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3582729 0.82 NPC1 (0.73) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27706953 0.81 CLK2 (0.53) ADORA3CCNA2CDK2NPC1RAB9A
SCHEMBL3587631 0.81 ADORA3 (0.82) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL7757552 0.78 CCNA2 (0.76) CCNA2CDK2NPC1RAB9AKMT2A
SCHEMBL14454809 0.75 NPC1 (0.52) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5136140 0.75 SMN1; SMN2 (0.58) ADORA3NPC1RAB9AKMT2ASMN1; SMN2

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 2751/4885CCNA2 1512/4885CDK2 724/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 ADORA3 2747/4885CCNA2 1530/4885CDK2 723/4885

“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.