SCHEMBL162409

SCHEMBL162409

CN=C(Nc1ccc(-c2cnc(CCC(C)(C)C(=O)O)s2)cc1)Nc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.44
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.37
ESRRG P62508 2/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
ESR2 Q92731 1/20 0.36
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
CNR1 P21554 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL162408 1.00 DGAT1 (0.44) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160964 0.91 DGAT1 (0.41) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160965 0.91 DGAT1 (0.41) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160057 0.90 DGAT1 (0.54) DGAT1SMN1; SMN2KDRTEKCNR1
SCHEMBL161031 0.90 DGAT1 (0.42) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161519 0.88 DGAT1 (0.45) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL163109 0.88 DGAT1 (0.47) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161580 0.81 DGAT1 (0.39) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161581 0.81 DGAT1 (0.39) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161621 0.81 DGAT1 (0.51) DGAT1SMN1; SMN2KDRTEKMAPT

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 DGAT1 1/4885TP53 1654/4885SMN1; SMN2 2105/4885

“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.