SCHEMBL1251986

SCHEMBL1251986

Cc1cc(N2CCOCC2)cc(C)c1-c1nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
DGAT1 O75907 3/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
BRD4 O60885 2/20 0.47
FLT3 P36888 6/20 0.46
LRRK2 Q5S007 1/20 0.46
CHEK2 O96017 3/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL1252797 0.85 SIRT2 (0.59) HDAC3HDAC6HDAC7HDAC9SIRT2
SCHEMBL1252005 0.84 SIRT2 (0.64) HDAC3HDAC6HDAC7HDAC9SIRT2
SCHEMBL1252171 0.78 DGAT1 (0.59) SIRT2SIRT1DGAT1BRD4
SCHEMBL30385748 0.78 DGAT1 (0.59) SIRT2SIRT1DGAT1BRD4
SCHEMBL1252728 0.75 DGAT1 (0.59) HDAC3HDAC6HDAC7HDAC9SIRT2
SCHEMBL1252757 0.75 DGAT1 (0.79) HDAC3HDAC6HDAC7HDAC9DGAT1
SCHEMBL1253140 0.74 DGAT1 (0.64) HDAC3HDAC6HDAC7HDAC9SIRT2
SCHEMBL18229629 0.70 HDAC6 (1.00) HDAC3HDAC6HDAC7HDAC9DGAT1
SCHEMBL1662773 0.70 SIRT2 (0.72) HDAC3HDAC6SIRT2SIRT1HDAC1
SCHEMBL1252846 0.70 DGAT1 (0.62) HDAC3HDAC6HDAC7HDAC9DGAT1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205595-B1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2014-09-10 EP disclosed
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 US disclosed
US-20110077277-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-03-31 US disclosed
US-7879850-B2 such as 6-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-(2,6-dichloro-phenyl)-1H-benzoimidazole, having diacylglycerol O-acyl transferase inhibitory activity, used for the treatment of impaired glucose tolerance, non-insulin dependent diabetes or obesity NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2205595-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS Novartis Ag (CH) 2010-07-14 EP disclosed
US-20090186891-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-23 US disclosed
WO-2009040410-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2009-04-02 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 (2 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-20110077277-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 HDAC3 690/4885HDAC6 704/4885HDAC7 2239/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 HDAC3 690/4885HDAC6 704/4885HDAC7 2239/4885

“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.