SCHEMBL972008

SCHEMBL972008

O=C(C#Cc1ccccc1)NC1CCCCC1Nc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GRM5 P41594 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
AURKA O14965 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL4700278 0.74 GRM5 (0.45) VCPKDM4EGRM5SMN1; SMN2NPC1
SCHEMBL973550 0.73 GRM5 (0.40) KMT2ATSHRMEN1KDM4EGRM5
SCHEMBL973961 0.73 GRIN2B (0.42) KDM4EGRM5SMN1; SMN2NPC1RAB9A
SCHEMBL4701412 0.72 HSD17B10 (0.56) VCPKMT2AMEN1GRM5ALDH1A1
SCHEMBL974727 0.71 SMN1; SMN2 (0.46) VCPTSHRKDM4EGRM5SMN1; SMN2
SCHEMBL972710 0.71 HSD17B10 (0.46) VCPKMT2AMEN1KDM4EGRM5
SCHEMBL972911 0.71 BTK (0.49) VCPGRM5ALDH1A1HPGD
SCHEMBL4702135 0.71 SMN1; SMN2 (0.45) VCPTSHRKDM4EGRM5SMN1; SMN2
SCHEMBL972548 0.70 HSD17B10 (0.51) VCPKMT2AMEN1GRM5ALDH1A1
SCHEMBL6152696 0.64 CHRNA7 (0.59)

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 VCP 1575/4885KMT2A 3889/4885TSHR 378/4885

“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.