SCHEMBL4287380

SCHEMBL4287380

CCOC(=O)c1sc(C)nc1S

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MC4R P32245 1/20 0.44

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
SCHEMBL2498385 0.85 NPC1 (0.72) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL1194336 0.80 TRPM8 (0.59) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL9256013 0.80 ALDH1A1 (0.70) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12324407 0.79 NPC1 (0.50) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL1808600 0.79 ALDH1A1 (0.58) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL15182513 0.79 NPC1 (0.52) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL21771163 0.79 NPC1 (0.52) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL7940870 0.79 NPC1 (0.52) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL12661708 0.79 LMNA (0.67) NPC1ALDH1A1HPGDCYP1A2HSD17B10
SCHEMBL20654264 0.77 NPC1 (0.51) NPC1ALDH1A1HPGDCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284286-B2 Specific carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-15 US disclosed
EP-2951156-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-12-09 EP disclosed
WO-2014082737-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2014-06-05 WO disclosed
US-20140148468-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2014-05-29 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
EP-0095925-B2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives DU PONT (US) 1994-12-07 EP disclosed
US-4943312-A Herbicidal thiazole derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-24 US disclosed
US-4919706-A HERBICIDES; PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-24 US disclosed
EP-0095925-B1 HERBICIDAL IMIDAZOLE, PYRAZOLE, THIAZOLE AND ISOTHIAZOLE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-22 EP disclosed
EP-0095925-A2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-07 EP 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 (2 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-20140148468-A1 SPECIFIC CARBOXAMIDES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 NPC1 2944/4885ALDH1A1 3964/4885HPGD 3233/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NPC1 2803/4885ALDH1A1 2708/4885HPGD 281/4885

“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.