SCHEMBL3537684

SCHEMBL3537684

COc1ccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHEK1 O14757 1/20 0.43
TRPC3 Q13507 2/20 0.41
TRPC6 Q9Y210 2/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NTMT1 Q9BV86 1/20 0.40
MAPT P10636 2/20 0.40
PREP P48147 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
SCHEMBL3539439 0.90 ALDH1A1 (0.48) KDM4EALDH1A1TLR7KMT2ATRPC3
SCHEMBL3537642 0.89 ACKR3 (0.38) KDM4EALDH1A1KMT2ARAB9ANPC1
SCHEMBL3545771 0.89 ALDH1A1 (0.53) KDM4EALDH1A1HPGDTLR7KMT2A
SCHEMBL3537377 0.89 ALDH1A1 (0.43) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3545134 0.88 ACKR3 (0.46) TLR7CHEK1TDP1
SCHEMBL3542690 0.88 RAB9A (0.45) KDM4EALDH1A1TLR7KMT2AMEN1
SCHEMBL3535648 0.88 ACKR3 (0.47) TLR7CHEK1MAPTATMTDP1
SCHEMBL5661785 0.87 ACKR3 (0.38) KDM4EALDH1A1TLR7KMT2ARAB9A
SCHEMBL3545577 0.87 ALDH1A1 (0.43) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27751094 0.85 TLR7 (0.43) KDM4EALDH1A1TLR7SMN1; SMN2LMNA

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 KDM4E 1513/4885ALDH1A1 707/4885HPGD 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.