SCHEMBL3540339

SCHEMBL3540339

Cc1c(F)cc(-c2nc(C(=O)N3CCCCCCC3)cs2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GHSR Q92847 1/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3536387 0.78 HTR2C (0.57) HTR2CHPGDMEN1KMT2ANPC1
SCHEMBL3535676 0.78 HTR2C (0.57) HTR2CHPGDMEN1KMT2ANPC1
SCHEMBL3543039 0.76 HTR2C (0.34) HTR2CKMT2AGHSRTRPC3TRPC6
SCHEMBL3540590 0.74 ALDH1A1 (0.61) HTR2CHPGDMEN1KMT2ANPC1
SCHEMBL29944255 0.73 NPC1 (0.57) HTR2CHPGDMAPK1MEN1KMT2A
SCHEMBL3538552 0.72 HTR2C (0.56) HTR2CHPGDMAPK1MEN1KMT2A
SCHEMBL3543984 0.72 HTR2C (0.50) HTR2CHPGDMAPK1MEN1KMT2A
SCHEMBL5661013 0.71 HTR2C (0.63) HTR2CHPGDMEN1KMT2AHRH3
SCHEMBL5661113 0.71 HTR2C (0.63) HTR2CHPGDMEN1KMT2AHRH3
SCHEMBL3543198 0.70 HTR2C (0.63) HTR2CHPGDMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 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 HTR2C 422/4885HPGD 1113/4885MAPK1 1118/4885

“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.