SCHEMBL159199

SCHEMBL159199

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
PTPRE P23469 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
FFAR1 O14842 2/20 0.42
EPHX2 P34913 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL163546 0.89 MEN1 (0.54) MEN1KMT2ARAB9ANPC1PTPRE
SCHEMBL160976 0.85 SMN1; SMN2 (0.51) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL162693 0.83 SMN1; SMN2 (0.51) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL164156 0.82 MAPT (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL161099 0.81 GLS (0.46) KMT2ARAB9ANPC1HDAC1HDAC2
SCHEMBL15021986 0.81 RXFP1 (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL161921 0.80 SMN1; SMN2 (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL161894 0.78 P2RY1 (0.52) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL162295 0.77 CSNK2A2 (0.53) MEN1KMT2ARAB9AHDAC1HDAC2
SCHEMBL158877 0.77 TRPV1 (0.49) MEN1KMT2ARAB9ANPC1HDAC1

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 6 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 claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
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 MEN1 2803/4885KMT2A 2187/4885RAB9A 1781/4885

“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.