SCHEMBL12468464

SCHEMBL12468464

CCN(C)C(=O)c1nc(-c2ccc(OC)c(F)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.47
PTGES O14684 1/20 0.46
PRKCZ Q05513 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SCN9A Q15858 1/20 0.43
PSMD14 O00487 1/20 0.41
APAF1 O14727 1/20 0.41
RAD52 P43351 1/20 0.41
UBE2N P61088 1/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL15849566 0.89 MEN1 (0.61) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL12472080 0.81 RAB9A (0.58) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL12467647 0.77 SCN9A (0.52) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15849720 0.75 HDAC1 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL13367649 0.73 ALDH1A1 (0.74) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL1802287 0.73 ALDH1A1 (1.00) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15849567 0.72 SCN9A (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL12472603 0.72 ESR2 (0.43) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL12472944 0.71 SCN9A (0.42) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15849719 0.71 MEN1 (0.55) MEN1KMT2ARAB9ANPC1ALDH1A1

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-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
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 MEN1 4685/4885KMT2A 4291/4885RAB9A 2089/4885

“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.