SCHEMBL3540873

SCHEMBL3540873

COc1cccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 5/20 0.38
PDE2A O00408 1/20 0.36
SCN9A Q15858 5/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SHMT2 P34897 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3537875 0.92 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3538082 0.92 SHMT2 (0.43) ALDH1A1HPGDTDP1HTR2CGAA
SCHEMBL3542155 0.90 PIM1 (0.42) ALDH1A1KDM4EHPGDHSD17B10HTR2C
SCHEMBL3545648 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3540890 0.86 HTR2C (0.41) HTR2CSCN9AKCNH2
SCHEMBL3540062 0.86 PIM1 (0.40) PDE2A
SCHEMBL3544618 0.85 CCNT1 (0.40) ALDH1A1PDE2A
SCHEMBL3545577 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SCD5
SCHEMBL3536850 0.83 HTR2C (0.39) HTR2CSHMT2
SCHEMBL3538068 0.83 CPT1A (0.41) ALDH1A1KDM4EHPGDHTR2CSHMT2

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.