SCHEMBL159179

SCHEMBL159179

COC(=O)C(C)(C)CCc1nc(-c2ccc(N)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 2/20 0.51
KLF5 Q13887 1/20 0.51
NPC1 O15118 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 2/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 3/20 0.45
MITF O75030 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL160793 0.84 HDAC2 (0.57) TP53SMN1; SMN2RAB9AKLF5NPC1
SCHEMBL15021987 0.80 MAPT (0.52) TP53SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL161615 0.80 MAPT (0.53) TP53SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL161385 0.78 HDAC1 (0.56) RAB9ANPC1LMNAATMALDH1A1
SCHEMBL10914161 0.73 RAB9A (0.69) TP53SMN1; SMN2RAB9AKLF5NPC1
SCHEMBL15379098 0.73 RAB9A (0.54) TP53SMN1; SMN2RAB9AKLF5NPC1
SCHEMBL5312911 0.72 MAPK1 (0.57) SMN1; SMN2RAB9ANPC1LMNAHPGD
SCHEMBL17978547 0.71 NPC1 (0.57) SMN1; SMN2RAB9ANPC1ATMALDH1A1
SCHEMBL5311162 0.70 ACACB (0.59) SMN1; SMN2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL160848 0.69 ERCC5 (0.38) SMN1; SMN2RAB9ANPC1LMNAALDH1A1

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 3 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 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 TP53 1654/4885SMN1; SMN2 2105/4885RAB9A 1781/4885

“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.