SCHEMBL974727

SCHEMBL974727

O=C(C#Cc1ccccc1)NCCNc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
VCP P55072 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GRM5 P41594 1/20 0.44
HSPA5 P11021 1/20 0.43
HSPA9 P38646 1/20 0.43
AURKA O14965 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4702135 0.94 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1VCPRAB9ANPC1
SCHEMBL973602 0.79 NPSR1 (0.48) SMN1; SMN2L3MBTL1VCPRAB9ANPC1
SCHEMBL973997 0.76 VCP (0.43) SMN1; SMN2L3MBTL1VCPGRM5
SCHEMBL28883878 0.73 RAB9A (0.57) SMN1; SMN2L3MBTL1RAB9ANPC1TP53
SCHEMBL15904237 0.72 NPC1 (0.49) SMN1; SMN2VCPRAB9ANPC1POLB
SCHEMBL972008 0.71 VCP (0.43) SMN1; SMN2VCPRAB9ANPC1TP53
SCHEMBL4180099 0.71 RAB9A (0.52) SMN1; SMN2L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL13936362 0.70 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1RAB9ANPC1KDM4E
SCHEMBL6361487 0.70 PTGES (0.50) SMN1; SMN2VCPRAB9ANPC1POLB
SCHEMBL4176134 0.69 CA12 (0.53) SMN1; SMN2L3MBTL1RAB9ANPC1HPGD

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 SMN1; SMN2 4756/4885L3MBTL1 4077/4885VCP 1575/4885

“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.