SCHEMBL161908

SCHEMBL161908

COC(=O)CCCc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
THRB P10828 1/20 0.58
TP53 P04637 4/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL161886 0.89 ALDH1A1 (0.63) MAPTTHRBTP53LMNANPSR1
SCHEMBL162131 0.83 CSGALNACT1 (0.52) MAPTTHRBTP53LMNAL3MBTL1
SCHEMBL157991 0.82 DDX3X (0.58) MAPTLMNANPSR1L3MBTL1ALDH1A1
SCHEMBL164879 0.81 MAPT (0.52) MAPTTP53LMNAL3MBTL1MEN1
SCHEMBL563342 0.80 ALDH1A1 (0.73) MAPTTP53LMNAALDH1A1GAA
SCHEMBL160976 0.76 SMN1; SMN2 (0.51) MAPTTP53LMNANPSR1GAA
SCHEMBL161385 0.76 HDAC1 (0.56) MAPTLMNAL3MBTL1ALDH1A1MEN1
SCHEMBL162536 0.76 DGAT1 (0.54) MAPTTP53LMNANPSR1GAA
SCHEMBL164872 0.74 P2RY1 (0.53) MAPTTP53LMNAL3MBTL1ALDH1A1
SCHEMBL17978574 0.74 DDX3X (0.69) MAPTTHRBTP53LMNAALDH1A1

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 MAPT 137/4885THRB 2766/4885TP53 1654/4885

“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.