SCHEMBL16624015

SCHEMBL16624015

CC(C)N1C(=O)c2ccsc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
PTPRC P08575 1/20 0.41
NPC1 O15118 1/20 0.34
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PABPC1 P11940 1/20 0.33
DNMT1 P26358 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GCK P35557 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL18034951 0.74 CES1 (0.48) CES1PTPRCPABPC1DNMT1ALDH1A1
SCHEMBL8283569 0.73 ALDH1A1 (0.44) CES1PTPRCNPC1GAATDP1
SCHEMBL20329327 0.71 GCK (0.40) CES1GAANPSR1GCKHTT
SCHEMBL12601431 0.71 CYP1B1 (0.47) CES1PTPRCNPC1GAANPSR1
SCHEMBL166122 0.70 TDP1 (0.57) NPC1GAATDP1HTTALDH1A1
SCHEMBL12381797 0.70 NPC1 (0.42) NPC1GAAPABPC1TDP1HTT
SCHEMBL29381145 0.70 TDP1 (0.57) NPC1GAATDP1HTTALDH1A1
SCHEMBL19333899 0.69 CES1 (0.48) CES1PTPRCPABPC1DNMT1
SCHEMBL18517073 0.69 TDP1 (0.33) TDP1USP2LMNA
SCHEMBL10018460 0.65 KDM4E (0.40) NPC1GAAPABPC1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H CES1 3046/4885PTPRC 2815/4885NPC1 2128/4885

“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.