SCHEMBL13664653

SCHEMBL13664653

CCC(=O)c1ccc(N=C=S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY6 Q15077 2/20 0.47
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
RAB9A P51151 4/20 0.42
MIF P14174 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6498768 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MAPTL3MBTL1RAB9AKMT2A
SCHEMBL11219587 0.81 GSK3B (0.52) HSD17B10SMN1; SMN2MAPTP2RY6GRIN1
SCHEMBL10576000 0.81 GSK3B (0.52) HSD17B10P2RY6GRIN1GRIN2AGRIN2B
SCHEMBL1308638 0.79 NOS3 (0.53) HSD17B10SMN1; SMN2MAPTL3MBTL1P2RY6
SCHEMBL13667789 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MAPTL3MBTL1RAB9AKMT2A
SCHEMBL941258 0.78 P2RY6 (0.50) HSD17B10MAPTP2RY6GRIN1GRIN2A
SCHEMBL1457515 0.77 MAPT (0.56) SMN1; SMN2MAPTRAB9ACA1CA2
SCHEMBL9748412 0.77 HSD17B10 (0.46) HSD17B10MAPTL3MBTL1P2RY6GRIN1
SCHEMBL8051337 0.77 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1RAB9AKMT2A
SCHEMBL23481284 0.76 HSD17B10 (0.49) HSD17B10MAPTP2RY6GRIN1GRIN2A

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
CN-1984655-B Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB CO. (US) 2011-11-30 CN disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
CN-1984655-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN 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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R HSD17B10 4546/4885SMN1; SMN2 4405/4885MAPT 2697/4885

“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.