SCHEMBL971187

SCHEMBL971187

COc1cccc(C#CC(=O)NC2CCN(c3nc(C(C)(C)C)cs3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 8/20 0.38
LMNA P02545 7/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPK1 P28482 4/20 0.38
TP53 P04637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 3/20 0.38
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.37
GLS O94925 2/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 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
SCHEMBL975606 0.91 MTNR1A (0.44) MTNR1AMTNR1BCCNCCDK8MAOB
SCHEMBL973427 0.90 NAAA (0.44) CCNCCDK8MAPTLMNAALDH1A1
SCHEMBL974369 0.89 CCR4 (0.36) CCNCCDK8LMNAGRM5SMN1; SMN2
SCHEMBL972309 0.88 NTMT1 (0.36) LMNAGRM5
SCHEMBL971724 0.88 CNR2 (0.40) CCNCCDK8LMNAGRM5SMN1; SMN2
SCHEMBL974388 0.88 DRD2 (0.43) LMNAALDH1A1MAPK1SMN1; SMN2GLS
SCHEMBL974418 0.87 GRM5 (0.39) CDK8ALDH1A1GRM5KMT2A
SCHEMBL4705139 0.85 GRM5 (0.43) MTNR1AMTNR1BMAOBMAPTLMNA
SCHEMBL974314 0.85 MAPK1 (0.41) LMNAMAPK1GRM5
SCHEMBL973975 0.84 CTSB (0.38) LMNAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 US disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 MTNR1A 230/4885MTNR1B 170/4885CCNC 3890/4885

“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.