SCHEMBL408093

SCHEMBL408093

COC(=O)Cc1nc(C)c(C)s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
OPRM1 P35372 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL27970992 0.79 SLC6A3 (0.41) NPC1RAB9AOPRM1SMN1; SMN2SLC6A3
SCHEMBL9905927 0.79 SLC6A3 (0.38) GAANPC1RAB9AOPRM1SMN1; SMN2
SCHEMBL23515005 0.78 HTT (0.44) HTTHSD17B10GAANPSR1L3MBTL1
Bromide SCHEMBL7406625 0.77 HTT (0.43) HTTHSD17B10GAANPSR1L3MBTL1
SCHEMBL10484381 0.77 SLC6A3 (0.41) NPC1RAB9AOPRM1SMN1; SMN2SLC6A3
SCHEMBL4810391 0.77 SLC6A3 (0.37) NPC1RAB9AOPRM1SMN1; SMN2SLC6A3
Lithium Ion SCHEMBL10484385 0.76 SLC6A3 (0.36) GAANPC1RAB9AOPRM1SMN1; SMN2
SCHEMBL26334851 0.74 VHL (0.42) HTTL3MBTL1NPC1RAB9AOPRM1
SCHEMBL5898085 0.73
SCHEMBL2827987 0.70 GAA (0.56) HTTHSD17B10GAAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT HTT 567/4885HSD17B10 168/4885GAA 106/4885

“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.