SCHEMBL3537642

SCHEMBL3537642

O=C(c1csc(-c2ccc(O)cc2)n1)N1CCCC2CCCC=C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TYR P14679 1/20 0.35
NTMT1 Q9BV86 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CLK1 P49759 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
SCHEMBL3539439 0.91 ALDH1A1 (0.48) ACKR3CNR1CNR2KDM4EALDH1A1
SCHEMBL3545134 0.91 ACKR3 (0.46) ACKR3CNR1CNR2HTR3EHTR3B
SCHEMBL3542690 0.91 RAB9A (0.45) KDM4EALDH1A1KMT2AHTR2CMAPT
SCHEMBL3535648 0.90 ACKR3 (0.47) ACKR3CNR1CNR2HTR3EHTR3B
SCHEMBL3537684 0.89 KDM4E (0.44) KDM4EALDH1A1NTMT1KMT2APOLB
SCHEMBL5661785 0.88 ACKR3 (0.38) ACKR3CNR1CNR2KDM4EALDH1A1
SCHEMBL27751094 0.88 TLR7 (0.43) ACKR3CNR1CNR2KDM4EALDH1A1
SCHEMBL4983913 0.88 ACKR3 (0.45) ACKR3CNR1CNR2ALDH1A1HTR3E
SCHEMBL3539433 0.86 CHEK1 (0.40) ACKR3CNR1CNR2KDM4EALDH1A1
SCHEMBL3540045 0.84 KDM4E (0.39) ACKR3CNR1CNR2KDM4EALDH1A1

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 ACKR3 3834/4885HSD17B1 147/4885HSD17B2 146/4885

“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.