SCHEMBL162028

SCHEMBL162028

COC(=O)CCCc1nnc(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 2/20 0.46
HRH3 Q9Y5N1 4/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.42

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
SCHEMBL158798 0.90 SMN1; SMN2 (0.56) DDX3XSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL164879 0.83 MAPT (0.52) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL157991 0.81 DDX3X (0.58) DDX3XSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL164623 0.80 KDM4E (0.54) DDX3XSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL162693 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL163898 0.79 DDX3X (0.56) DDX3XSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL159777 0.74 NR1H4 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL163582 0.72 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL162484 0.71 HDAC8 (0.56) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL160332 0.70 KDM4E (0.59) DDX3XSMN1; SMN2NPC1RAB9AALDH1A1

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 DDX3X 3177/4885SMN1; SMN2 2105/4885NPC1 86/4885

“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.