SCHEMBL157991

SCHEMBL157991

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 3/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL165680 0.89 DDX3X (0.59) DDX3XKDM4EALDH1A1CYP1A2HTT
SCHEMBL161908 0.82 MAPT (0.58) ALDH1A1GAAHSD17B10L3MBTL1MAPT
SCHEMBL164623 0.82 KDM4E (0.54) DDX3XKDM4EALDH1A1HTTMAPT
SCHEMBL162028 0.81 DDX3X (0.52) DDX3XKDM4EALDH1A1HTTMAPT
SCHEMBL160976 0.79 SMN1; SMN2 (0.51) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL163898 0.79 DDX3X (0.56) DDX3XHTTMAPTKMT2AMEN1
SCHEMBL162536 0.76 DGAT1 (0.54) KDM4EGAAMAPTKMT2AMEN1
SCHEMBL159777 0.76 NR1H4 (0.47) KDM4EALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL17978578 0.74 DDX3X (1.00) DDX3XKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL562313 0.73 ALDH1A1 (0.62) KDM4EALDH1A1GAAL3MBTL1MAPT

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 DDX3X 3177/4885KDM4E 4508/4885ALDH1A1 369/4885

“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.