SCHEMBL161615

SCHEMBL161615

COC(=O)C(C)(C)CCc1nc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 7/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC4 P56524 1/20 0.46
PTPN1 P18031 1/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 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
SCHEMBL15021987 0.90 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL162751 0.90 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL15021904 0.81 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL159179 0.80 TP53 (0.51) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL160793 0.76 HDAC2 (0.57) MAPTSMN1; SMN2TP53LMNAALDH1A1
SCHEMBL16592451 0.74 HAVCR2 (0.63) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL20838080 0.73 HDAC4 (0.80) HDAC4
SCHEMBL25914332 0.69 HDAC4 (0.50) MAPTMEN1KMT2AHDAC8HDAC1
SCHEMBL19994639 0.68 HDAC4 (0.56) MAPTSMN1; SMN2TP53HDAC8HDAC1
SCHEMBL6332416 0.67 TSHR (0.74) MAPTSMN1; SMN2TP53LMNAALDH1A1

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 137/4885MEN1 2803/4885KMT2A 2187/4885

“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.