SCHEMBL3537435

SCHEMBL3537435

O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CCCC2CCCC=C21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
IL1R1 P14778 1/20 0.44
PRKCA P17252 1/20 0.44
TNFRSF1A P19438 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
SHMT1 P34896 6/20 0.41
SHMT2 P34897 4/20 0.41
HTR2C P28335 5/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3543877 0.92 HTR2C (0.40) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL3541313 0.90 PROKR1 (0.38) SHMT1SHMT2HTR2C
SCHEMBL3536786 0.89 GFER (0.38) HTR2CKMT2A
SCHEMBL3541782 0.88 HTR2C (0.53) TLR7HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3541503 0.88 RAB9A (0.38) HTR2CNPC1RAB9AKMT2ACNR1
SCHEMBL3542690 0.87 RAB9A (0.45) TLR7HTR2CNPC1RAB9AMEN1
SCHEMBL3538068 0.86 CPT1A (0.41) SHMT2HTR2CNPC1RAB9AMEN1
SCHEMBL3540903 0.86 PROKR1 (0.41) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL3541008 0.85 TLR7 (0.45) TLR7HTR2CNPC1RAB9AMEN1
SCHEMBL3536849 0.84 HTR2C (0.60) TLR7HTR2CNPC1RAB9ASMN1; SMN2

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 PRKD3 2145/4885PRKCG 1643/4885PRKCB 1745/4885

“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.