SCHEMBL12469470

SCHEMBL12469470

CN(C)C(=O)c1nc(-c2ccc(O)c(Cl)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
ABL1 P00519 6/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 4/20 0.43
RECQL P46063 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
ESR2 Q92731 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
EIF4E P06730 1/20 0.40
ENPP2 Q13822 2/20 0.40
PKM P14618 2/20 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
SCHEMBL15849567 0.84 SCN9A (0.51) SCN9AABL1MAPTKDM4EGAA
SCHEMBL12467643 0.82 RAB9A (0.59) SCN9AABL1MAPTKDM4EALDH1A1
SCHEMBL12471487 0.76 HSD17B1 (0.46) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL12468521 0.76 GRM1 (0.53) SCN9AMAPTKDM4EALDH1A1NPC1
SCHEMBL15849768 0.76 SCN9A (0.58) SCN9AMAPTTP53KDM4EGAA
SCHEMBL12472603 0.75 ESR2 (0.43) SCN9AABL1MAPTKDM4EGAA
SCHEMBL12472944 0.74 SCN9A (0.42) SCN9AABL1MAPTKDM4EGAA
SCHEMBL10315988 0.74 LTA4H (0.59) MAPTTP53KDM4EGAARECQL
SCHEMBL12468471 0.74 MEN1 (0.58) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL15849566 0.73 MEN1 (0.61) SCN9AMAPTTP53KDM4EGAA

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 SCN9A 4511/4885ABL1 995/4885MAPT 2743/4885

“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.