SCHEMBL971825

SCHEMBL971825

CN(CCNC(=O)C#Cc1cccc(Cl)c1)c1nc(Cl)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.41
GRM5 P41594 6/20 0.41
TLR7 Q9NYK1 1/20 0.35
VCP P55072 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
PTGES O14684 1/20 0.34
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPK1 P28482 1/20 0.33
UCHL1 P09936 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL973508 0.91 GRM5 (0.42) PYGLGRM5TLR7VCPUTS2R
SCHEMBL973076 0.90 PYGL (0.40) PYGLGRM5TLR7VCPUTS2R
SCHEMBL971438 0.87 L3MBTL1 (0.47) PYGLGRM5TLR7VCPALDH1A1
SCHEMBL2348851 0.84 PYGL (0.41) PYGLGRM5TLR7VCPUTS2R
SCHEMBL973186 0.84 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
Hydrochloric Acid SCHEMBL972280 0.83 PYGL (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL972331 0.83 GRM5 (0.42) PYGLGRM5VCPUTS2RPTGES
SCHEMBL971937 0.82 NPC1 (0.48) PYGLGRM5ALDH1A1MAPK1NPC1
SCHEMBL971082 0.81 GRM5 (0.41) PYGLGRM5VCPUTS2RPTGES
SCHEMBL2851862 0.81 PYGL (0.39) PYGLGRM5UTS2RPTGESALDH1A1

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 PYGL 566/4885GRM5 1623/4885TLR7 1281/4885

“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.