SCHEMBL164872

SCHEMBL164872

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CSGALNACT1 Q8TDX6 1/20 0.52
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 1/20 0.47
DGAT1 O75907 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL162131 0.93 CSGALNACT1 (0.52) P2RY1ALDH1A1CSGALNACT1TDP1L3MBTL1
SCHEMBL161886 0.82 ALDH1A1 (0.63) ALDH1A1TSHRL3MBTL1LMNAPOLB
SCHEMBL162088 0.79 P2RY1 (0.54) P2RY1CSGALNACT1DGAT1NPC1RAB9A
SCHEMBL161829 0.78 DGAT1 (0.63) P2RY1ALDH1A1CSGALNACT1LMNADGAT1
SCHEMBL161320 0.77 P2RY1 (0.52) P2RY1ALDH1A1CSGALNACT1TSHRL3MBTL1
SCHEMBL161638 0.77 P2RY1 (0.52) P2RY1ALDH1A1CSGALNACT1TSHRL3MBTL1
SCHEMBL163582 0.77 ALDH1A1 (0.55) ALDH1A1CSGALNACT1TSHRLMNAHDAC1
SCHEMBL5717754 0.75 TSHR (0.84) ALDH1A1TSHRTDP1L3MBTL1LMNA
SCHEMBL159376 0.75 DGAT1 (0.64) P2RY1ALDH1A1CSGALNACT1LMNADGAT1
SCHEMBL161908 0.74 MAPT (0.58) ALDH1A1TSHRL3MBTL1LMNAPOLB

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 P2RY1 1922/4885ALDH1A1 369/4885CSGALNACT1 750/4885

“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.