SCHEMBL160793

SCHEMBL160793

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.57
HDAC1 Q13547 6/20 0.57
HDAC8 Q9BY41 5/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
LMNA P02545 4/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSTP1 P09211 3/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ATM Q13315 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KLF5 Q13887 1/20 0.45
HPGD P15428 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
SCHEMBL159179 0.84 TP53 (0.51) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL162090 0.80 SIRT2 (0.69) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL3832953 0.77 HDAC2 (0.59) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL5717586 0.77 TSHR (0.67) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL15021987 0.76 MAPT (0.52) LMNAMAPTHTTMAPK1TP53
SCHEMBL161615 0.76 MAPT (0.53) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL15379266 0.76 SIRT2 (0.62) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL5469179 0.76 MAPT (0.70) HDAC2HDAC1HDAC8SIRT2LMNA
SCHEMBL10720687 0.76 ALDH1A1 (0.54) LMNAMAPTCYP2C19RAB9AALDH1A1
SCHEMBL5717819 0.76 SIRT2 (0.65) HDAC2HDAC1HDAC8SIRT2LMNA

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 HDAC2 1216/4885HDAC1 949/4885HDAC8 1824/4885

“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.