SCHEMBL3545771

SCHEMBL3545771

COc1ccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
TLR7 Q9NYK1 2/20 0.46
CHEK1 O14757 1/20 0.45
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
SCD O00767 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 3/20 0.40

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
SCHEMBL3537684 0.89 KDM4E (0.44) ALDH1A1KDM4EHPGDTLR7CHEK1
SCHEMBL3537377 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1LMNA
SCHEMBL3545577 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDUSP2LMNA
SCHEMBL3544618 0.85 CCNT1 (0.40) ALDH1A1
SCHEMBL3538068 0.85 CPT1A (0.41) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL3537875 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAATDP1
SCHEMBL3538082 0.85 SHMT2 (0.43) ALDH1A1HPGDGAATDP1RAB9A
SCHEMBL3539439 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EGAATLR7RAB9A
SCHEMBL3540045 0.84 KDM4E (0.39) ALDH1A1KDM4EGAACHEK1RAB9A
SCHEMBL3541503 0.84 RAB9A (0.38) ALDH1A1KDM4ERAB9AKMT2ANPC1

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 ALDH1A1 707/4885KDM4E 1513/4885HPGD 1113/4885

“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.