SCHEMBL162090

SCHEMBL162090

COC(=O)CCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.69
HDAC1 Q13547 7/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC8 Q9BY41 6/20 0.68
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL161385 0.83 HDAC1 (0.56) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL563342 0.83 ALDH1A1 (0.73) HDAC1HDAC2HDAC8LMNAMAPT
SCHEMBL17978611 0.82 SIRT2 (0.76) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL5717586 0.81 TSHR (0.67) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL160793 0.80 HDAC2 (0.57) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL5717819 0.80 SIRT2 (0.65) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL162484 0.78 HDAC8 (0.56) HDAC1HDAC8LMNAMAPTALDH1A1
SCHEMBL5469179 0.78 MAPT (0.70) SIRT2HDAC1HDAC2HDAC8LMNA
SCHEMBL6333033 0.77 LMNA (0.61) HDAC1LMNAMAPTALDH1A1NPC1
SCHEMBL5330749 0.76 SIRT2 (0.67) SIRT2HDAC1HDAC2HDAC8LMNA

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 SIRT2 472/4885HDAC1 949/4885HDAC2 1216/4885

“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.