SCHEMBL160332

SCHEMBL160332

Cc1cccc(NC(=O)Nc2ccc(-c3nnc(CCCC(=O)O)o3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
DDX3X O00571 1/20 0.52
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.48
IMPDH2 P12268 2/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
MEN1 O00255 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
FBP1 P09467 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
FLT3 P36888 2/20 0.46
KDR P35968 2/20 0.46
KIT P10721 1/20 0.46
NPC1 O15118 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL164623 0.90 KDM4E (0.54) KDM4EDDX3XKMT2ARAB9AIMPDH2
SCHEMBL165221 0.85 DDX3X (0.56) DDX3XKMT2ARAB9AMEN1NR1H4
SCHEMBL165680 0.80 DDX3X (0.59) KDM4EDDX3XKMT2ARAB9AMEN1
SCHEMBL158798 0.78 SMN1; SMN2 (0.56) KDM4EDDX3XKMT2ARAB9AMEN1
SCHEMBL163898 0.77 DDX3X (0.56) DDX3XKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL20721702 0.75 MAPT (0.64) KDM4EKMT2ARAB9AMEN1NR1H4
SCHEMBL157991 0.71 DDX3X (0.58) KDM4EDDX3XKMT2ARAB9AMEN1
SCHEMBL10102734 0.71 HDAC8 (0.65) KDM4EKMT2ARAB9AMEN1NR1H4
SCHEMBL259602 0.70 SMN1; SMN2 (0.75) KMT2ARAB9ASAE1UBA2MEN1
SCHEMBL31054278 0.70 SMN1; SMN2 (0.75) KMT2ARAB9ASAE1UBA2MEN1

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 KDM4E 4508/4885DDX3X 3177/4885KMT2A 2187/4885

“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.