SCHEMBL162131

SCHEMBL162131

COC(=O)CCCc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Oc3ccccc3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 1/20 0.52
P2RY1 P47900 1/20 0.51
DGAT1 O75907 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.46
THRB P10828 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL164872 0.93 P2RY1 (0.53) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL161908 0.83 MAPT (0.58) MEN1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL161894 0.80 P2RY1 (0.52) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL162622 0.79 DGAT1 (0.62) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL164879 0.78 MAPT (0.52) MEN1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL165167 0.76 DGAT1 (0.64) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL563342 0.76 ALDH1A1 (0.73) LMNASMN1; SMN2TP53MAPTHDAC1
SCHEMBL161320 0.75 P2RY1 (0.52) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL161638 0.75 P2RY1 (0.52) CSGALNACT1P2RY1DGAT1MEN1KMT2A
SCHEMBL161886 0.75 ALDH1A1 (0.63) MEN1KMT2AL3MBTL1LMNATP53

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 CSGALNACT1 750/4885P2RY1 1922/4885DGAT1 1/4885

“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.