SCHEMBL3540182

SCHEMBL3540182

Cc1ccc(-c2nc(C(=O)N3CC(C)CC(C)C3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
TRPC3 Q13507 3/20 0.48
TRPC6 Q9Y210 3/20 0.48
TLR7 Q9NYK1 1/20 0.46
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.41
PIN1 Q13526 2/20 0.41

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
SCHEMBL4973267 0.89 RAB9A (0.54) ALDH1A1RAB9ANPC1TRPC3TRPC6
SCHEMBL3536201 0.89 PIN1 (0.51) ALDH1A1RAB9ATRPC3TRPC6TLR7
SCHEMBL3538387 0.87 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1POLBTRPC3
SCHEMBL3537356 0.86 TLR7 (0.48) ALDH1A1POLBTRPC3TRPC6TLR7
SCHEMBL3540590 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1POLBTRPC3
SCHEMBL4971750 0.78 HTR2C (0.64) ALDH1A1RAB9ANPC1TRPC3TRPC6
SCHEMBL3098211 0.76 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1POLBTLR7
SCHEMBL4972147 0.76 HTR2C (0.68) NPC1TRPC3TRPC6TLR7GAA
SCHEMBL4972867 0.76 TRPC3 (0.47) RAB9ATRPC3TRPC6GAALMNA
SCHEMBL6201061 0.75 ALDH1A1 (0.73) ALDH1A1RAB9ANPC1POLBTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP claimed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO claimed
CN-101370796-B Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE 2012-10-10 CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN disclosed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP disclosed
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 US disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 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 (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-20070203210-A1 Thiazolyl-benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885RAB9A 3177/4885NPC1 257/4885
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ALDH1A1 707/4885RAB9A 3912/4885NPC1 891/4885

“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.