SCHEMBL164945

SCHEMBL164945

COC(=O)C(C)(C)Cc1ncc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TP53 P04637 1/20 0.43
CNR1 P21554 2/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
HTT P42858 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
XBP1 P17861 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL162274 0.90 DGAT1 (0.45) MAPTMEN1KMT2AHTTNPC1
SCHEMBL164809 0.90 MAPT (0.42) MAPTTP53CNR1MEN1KMT2A
SCHEMBL164317 0.89 CNR1 (0.47) MAPTTP53CNR1MEN1KMT2A
SCHEMBL158262 0.89 DGAT1 (0.45) MAPTTP53CNR1MEN1KMT2A
SCHEMBL162281 0.84 DGAT1 (0.54) MAPTTP53CNR1MEN1KMT2A
SCHEMBL160684 0.83 DGAT1 (0.49) MAPTTP53CNR1MEN1KMT2A
SCHEMBL158865 0.83 EPHX2 (0.51) TP53NPC1RAB9ASMN1; SMN2KDR
SCHEMBL164309 0.82 ERCC5 (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL161964 0.81 DGAT1 (0.56) MAPTTP53SMN1; SMN2DGAT1LMNA
SCHEMBL159998 0.81 DGAT1 (0.52) MAPTTP53HTTNPC1RAB9A

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
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 MAPT 137/4885TP53 1654/4885CNR1 946/4885

“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.