SCHEMBL3544504

SCHEMBL3544504

COc1c(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)cc(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.32
HTR2C P28335 2/20 0.32
ATM Q13315 1/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
GHSR Q92847 1/20 0.31
TRPC3 Q13507 2/20 0.31
TRPC6 Q9Y210 2/20 0.31
PDE2A O00408 1/20 0.31
MEN1 O00255 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL3542578 0.94 PIM1 (0.34) PIM1HTR2CATMKMT2AGFER
SCHEMBL3543039 0.84 HTR2C (0.34) PIM1HTR2CKMT2AGFERGHSR
SCHEMBL3542155 0.82 PIM1 (0.42) PIM1HTR2C
SCHEMBL3544618 0.82 CCNT1 (0.40) PDE2A
SCHEMBL3537875 0.82 ALDH1A1 (0.37) HTR2CKMT2AGFERTRPC3TRPC6
SCHEMBL3540873 0.81 ALDH1A1 (0.47) HTR2CKMT2APDE2AMEN1
SCHEMBL3537882 0.81 PIM1 (0.39) PIM1HTR2CKMT2AGHSRPDE2A
SCHEMBL3545577 0.80 ALDH1A1 (0.43) KMT2AGFERTRPC3TRPC6MEN1
SCHEMBL3538082 0.80 SHMT2 (0.43) HTR2CTRPC3TRPC6
SCHEMBL3540062 0.80 PIM1 (0.40) PIM1PDE2APIM3PIM2

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 PIM1 1286/4885HTR2C 422/4885ATM 892/4885

“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.