SCHEMBL1007416

SCHEMBL1007416

CCOC(=O)c1sc(SC)c(C(=O)OCC)c1CC#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
FNTA P49354 11/20 0.41
FNTB P49356 11/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL1077676 0.82 ADORA3 (0.48) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL1006034 0.78 MAPT (0.61) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL9371698 0.77 ADORA3 (0.51) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL6967137 0.75 ADORA3 (0.47) ADORA3KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6976448 0.73 MAPT (0.54) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL622911 0.72 KDM4E (0.49) ADORA3KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6970961 0.71 MAPT (0.53) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL623739 0.71 L3MBTL1 (0.53) ADORA3KMT2AMEN1NPSR1L3MBTL1
SCHEMBL6972054 0.69 ALDH1A1 (0.52) ADORA3KMT2AMEN1NPSR1MAPT
SCHEMBL8281789 0.69 LMNA (0.55) ADORA3KMT2AMEN1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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 (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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 ADORA3 135/4885KMT2A 1139/4885MEN1 1454/4885

“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.