SCHEMBL12467643

SCHEMBL12467643

CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
ABL1 P00519 1/20 0.54
GRM1 Q13255 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.48
SCN9A Q15858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSTO1 P78417 1/20 0.47
EGFR P00533 1/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL15689239 0.86 NPC1 (0.54) RAB9ANPC1ABL1GRM1SMN1; SMN2
SCHEMBL12468521 0.85 GRM1 (0.53) RAB9ANPC1GRM1SMN1; SMN2KDM4E
SCHEMBL15849768 0.84 SCN9A (0.58) RAB9ANPC1GRM1SMN1; SMN2KDM4E
SCHEMBL17183405 0.84 RAB9A (0.52) RAB9ANPC1ABL1GRM1SMN1; SMN2
SCHEMBL13078667 0.83 ABL1 (0.61) RAB9ANPC1ABL1GRM1SMN1; SMN2
SCHEMBL12468471 0.82 MEN1 (0.58) RAB9ANPC1GRM1SMN1; SMN2KDM4E
SCHEMBL12469470 0.82 SCN9A (0.48) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL15689210 0.82 RAB9A (0.50) RAB9ANPC1ABL1GRM1SMN1; SMN2
SCHEMBL3613493 0.81 RAB9A (0.63) RAB9ANPC1ABL1SMN1; SMN2KDM4E
SCHEMBL15689178 0.81 RAB9A (0.49) RAB9ANPC1ABL1GRM1SMN1; SMN2

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-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN RAB9A 2089/4885NPC1 309/4885ABL1 995/4885

“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.