SCHEMBL3538121

SCHEMBL3538121

COc1ccc(-c2nc(C(=O)N3CC(C)OC(C)C3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
TLR7 Q9NYK1 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.47
TRPC3 Q13507 1/20 0.47
TRPC6 Q9Y210 1/20 0.47
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
CHEK1 O14757 1/20 0.45
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3538387 0.87 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1HPGDTLR7
SCHEMBL3538230 0.83 TLR7 (0.47) KDM4EKMT2AALDH1A1HPGDTLR7
SCHEMBL29999179 0.75 TLR7 (0.61) KDM4EALDH1A1HPGDTLR7SMN1; SMN2
SCHEMBL3957201 0.75 ALDH1A1 (0.69) KDM4EALDH1A1HPGDTLR7SMN1; SMN2
SCHEMBL911120 0.74 MGLL (0.47) KDM4EKMT2AALDH1A1HPGDTLR7
SCHEMBL4971553 0.74 HTR2C (0.67) ALDH1A1TLR7SMN1; SMN2TRPC3TRPC6
SCHEMBL3540182 0.74 ALDH1A1 (0.60) KDM4EALDH1A1HPGDTLR7SMN1; SMN2
SCHEMBL20988524 0.73 TLR7 (0.63) KDM4EALDH1A1HPGDTLR7SMN1; SMN2
SCHEMBL20988339 0.73 TLR7 (0.60) KDM4EALDH1A1HPGDTLR7SMN1; SMN2
SCHEMBL14481411 0.73 TLR7 (0.63) KDM4EALDH1A1HPGDTLR7SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP 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 (1 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-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 KDM4E 1513/4885KMT2A 1489/4885ALDH1A1 707/4885

“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.