SCHEMBL161886

SCHEMBL161886

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 1/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 2/20 0.53
ATM Q13315 1/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 2/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 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
SCHEMBL161908 0.89 MAPT (0.58) ALDH1A1MAPTNPSR1THRBLMNA
SCHEMBL164872 0.82 P2RY1 (0.53) ALDH1A1MAPTLMNATP53TSHR
SCHEMBL165680 0.81 DDX3X (0.59) ALDH1A1MAPTNPSR1LMNAPOLB
SCHEMBL163582 0.80 ALDH1A1 (0.55) ALDH1A1MAPTLMNATP53TSHR
SCHEMBL562989 0.79 ALDH1A1 (1.00) ALDH1A1MAPTLMNATP53TSHR
SCHEMBL5717754 0.78 TSHR (0.84) ALDH1A1MAPTLMNATP53TSHR
SCHEMBL164904 0.75 SMN1; SMN2 (0.51) MAPTNPSR1LMNATP53POLB
SCHEMBL17978574 0.74 DDX3X (0.69) ALDH1A1MAPTTHRBLMNATP53
SCHEMBL158944 0.74 DGAT1 (0.58) MAPTNPSR1LMNAPOLBMEN1
SCHEMBL20846631 0.73 LMNA (0.71) ALDH1A1MAPTLMNATP53HDAC1

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 ALDH1A1 369/4885MAPT 137/4885NPSR1 2950/4885

“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.