SCHEMBL3585075

SCHEMBL3585075

COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ TP53 P04637 2/20 1.00
▸ RAB9A P51151 7/20 0.71
▸ NPC1 O15118 6/20 0.71
▸ MAPT P10636 1/20 0.71
▸ KDM4E B2RXH2 4/20 0.66
▸ HPGD P15428 2/20 0.66
▸ HTT P42858 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ DUSP3 P51452 1/20 0.52
▸ NPSR1 Q6W5P4 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
SCHEMBL28390821 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL27727789 0.79 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL28888411 0.78 RAB9A (0.67) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL16607172 0.78 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL28393627 0.77 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL28393056 0.75 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL28393073 0.75 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL1303838 0.74 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL3596004 0.74 HPGD (0.64) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL2686124 0.74 KDM4E (0.75) SMN1; SMN2ALDH1A1TP53RAB9ANPC1

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 12 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 claimed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 — — US claimed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 — — EP claimed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 — — US claimed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 — — EP claimed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 — — WO claimed
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
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 SMN1; SMN2 1323/4885ALDH1A1 927/4885TP53 4217/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 SMN1; SMN2 1277/4885ALDH1A1 910/4885TP53 4217/4885

“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.

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