SCHEMBL163199

SCHEMBL163199

Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(-c2cnc(C3CCC(CC(=O)O)CC3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DGAT1 O75907 12/20 0.48
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SOAT2 O75908 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMO Q99835 1/20 0.40
STAT3 P40763 1/20 0.39

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
SCHEMBL159620 0.91 KDM4E (0.49) GAAKDM4ESMN1; SMN2ALDH1A1DGAT1
SCHEMBL160462 0.88 DGAT1 (0.63) DGAT1SOAT2
SCHEMBL162190 0.82 DGAT1 (0.58) DGAT1SOAT2
SCHEMBL178181 0.81 GAA (0.48) GAAKDM4ESMN1; SMN2ALDH1A1DGAT1
SCHEMBL16527610 0.75 GAA (0.49) GAAKDM4ESMN1; SMN2ALDH1A1DGAT1
SCHEMBL16527611 0.75 GAA (0.49) GAAKDM4ESMN1; SMN2ALDH1A1DGAT1
SCHEMBL164578 0.74 DGAT1 (0.58) GAAKDM4ESMN1; SMN2DGAT1POLB
SCHEMBL165064 0.74 DGAT1 (0.57) SMN1; SMN2DGAT1POLBRAB9AMEN1
SCHEMBL162108 0.74 DGAT1 (0.45) DGAT1POLBSOAT2MEN1MAPT
SCHEMBL161051 0.73 ITGB1 (0.43) DGAT1

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 GAA 331/4885KDM4E 4508/4885SMN1; SMN2 2105/4885

“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.