SCHEMBL3538570

SCHEMBL3538570

O=C(c1csc(-c2cccnc2)n1)N1CCCC2CCCC=C21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
IRAK4 Q9NWZ3 9/20 0.47
TLR7 Q9NYK1 1/20 0.44
HDAC2 Q92769 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CHEK1 O14757 1/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
CYP19A1 P11511 1/20 0.42
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL3535648 0.89 ACKR3 (0.47) HDAC6TLR7CHEK1
SCHEMBL3545134 0.87 ACKR3 (0.46) HDAC6TLR7CHEK1
SCHEMBL4983913 0.86 ACKR3 (0.45) HDAC6
SCHEMBL3540819 0.84 ACKR3 (0.41) HDAC6CPT1ACPT1B
SCHEMBL3538917 0.84 ACKR3 (0.41) HDAC6
SCHEMBL3537642 0.84 ACKR3 (0.38) HDAC6NPC1RAB9A
SCHEMBL3541008 0.83 TLR7 (0.45) TLR7NPC1RAB9A
SCHEMBL3534293 0.83 NTMT1 (0.39) CPT1ACPT1B
SCHEMBL3542690 0.83 RAB9A (0.45) TLR7NPC1RAB9A
SCHEMBL3539433 0.83 CHEK1 (0.40) CHEK1

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 5 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
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
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN 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 HDAC6 3047/4885IRAK4 806/4885TLR7 2132/4885

“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.