SCHEMBL165680

SCHEMBL165680

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.59
KDM4E B2RXH2 7/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.54
RAB9A P51151 5/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
PTGS2 P35354 2/20 0.48
SMO Q99835 1/20 0.48

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
SCHEMBL157991 0.89 DDX3X (0.58) DDX3XKDM4EGAAL3MBTL1HSD17B10
SCHEMBL161886 0.81 ALDH1A1 (0.63) L3MBTL1HSD17B10ALDH1A1RAB9AMAPT
SCHEMBL158798 0.80 SMN1; SMN2 (0.56) DDX3XKDM4EALDH1A1HTTRAB9A
SCHEMBL160332 0.80 KDM4E (0.59) DDX3XKDM4EL3MBTL1ALDH1A1HTT
SCHEMBL164904 0.78 SMN1; SMN2 (0.51) KDM4EGAARAB9AMAPTKMT2A
SCHEMBL165221 0.77 DDX3X (0.56) DDX3XHTTRAB9AMAPTKMT2A
SCHEMBL158944 0.75 DGAT1 (0.58) KDM4EGAARAB9AMAPTKMT2A
SCHEMBL17978578 0.74 DDX3X (1.00) DDX3XKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL10102734 0.73 HDAC8 (0.65) KDM4EL3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL161908 0.71 MAPT (0.58) GAAL3MBTL1HSD17B10ALDH1A1MAPT

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 4508/4885GAA 331/4885

“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.