SCHEMBL165221

SCHEMBL165221

O=C(O)CCCc1nnc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.56
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 1/20 0.53
KDR P35968 5/20 0.50
EPHX2 P34913 1/20 0.49
KIT P10721 2/20 0.48
FLT3 P36888 2/20 0.48
AURKB Q96GD4 3/20 0.48
NTRK1 P04629 2/20 0.48
NTRK2 Q16620 2/20 0.48
JAK2 O60674 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
CDK8 P49336 1/20 0.48
NTRK3 Q16288 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
BRAF P15056 1/20 0.46

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
SCHEMBL163898 0.90 DDX3X (0.56) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL160332 0.85 KDM4E (0.59) DDX3XKMT2AMEN1HTTRAB9A
SCHEMBL161640 0.79 MAPT (0.53) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL158798 0.78 SMN1; SMN2 (0.56) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL165680 0.77 DDX3X (0.59) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL163271 0.77 DGAT1 (0.58) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL164623 0.76 KDM4E (0.54) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL163790 0.73 DGAT1 (0.60) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17609423 0.72 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30069239 0.72 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A

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 3177/4885KMT2A 2187/4885MAPT 137/4885

“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.