SCHEMBL163582

SCHEMBL163582

O=C(O)CCCc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPT P10636 5/20 0.52
PIK3CA P42336 1/20 0.52
MTOR P42345 1/20 0.52
PIK3CG P48736 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
CSGALNACT1 Q8TDX6 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL164879 0.90 MAPT (0.52) MAPTPIK3CAMTORPIK3CGHDAC1
SCHEMBL158798 0.82 SMN1; SMN2 (0.56) ALDH1A1MAPTPIK3CAMTORPIK3CG
SCHEMBL161886 0.80 ALDH1A1 (0.63) ALDH1A1MAPTHDAC1HDAC2RAB9A
SCHEMBL164872 0.77 P2RY1 (0.53) ALDH1A1MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL161901 0.76 RAB9A (0.50) MAPTPIK3CAMTORPIK3CGSMN1; SMN2
SCHEMBL6332416 0.74 TSHR (0.74) ALDH1A1MAPTHDAC1HDAC2HDAC8
SCHEMBL163012 0.74 DGAT1 (0.54) ALDH1A1MAPTPIK3CAMTORPIK3CG
SCHEMBL162493 0.74 DGAT1 (0.54) ALDH1A1MAPTPIK3CAMTORPIK3CG
SCHEMBL562989 0.72 ALDH1A1 (1.00) ALDH1A1MAPTHDAC1HDAC2HDAC8
SCHEMBL2298388 0.72 CSGALNACT1 (0.71) CSGALNACT1

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 137/4885PIK3CA 1213/4885

“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.