SCHEMBL1252016

SCHEMBL1252016

COC(=O)c1ccc2nc(-c3c(C)cc(O)cc3C)[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
BRD4 O60885 1/20 0.58
DGAT1 O75907 6/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
RHEB Q15382 1/20 0.50
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL1249209 0.89 DGAT1 (0.65) HDAC3HDAC7HDAC6HDAC9BRD4
SCHEMBL3172174 0.86 HDAC3 (0.75) HDAC3HDAC7HDAC6HDAC9DGAT1
SCHEMBL18229629 0.85 HDAC6 (1.00) HDAC3HDAC7HDAC6HDAC9DGAT1
SCHEMBL20982471 0.81 MMP2 (0.78) HDAC3HDAC6BRD4KDM4EALDH1A1
SCHEMBL1253288 0.81 KDM4E (0.55) HDAC3HDAC7HDAC6HDAC9BRD4
SCHEMBL1252005 0.81 SIRT2 (0.64) HDAC3HDAC7HDAC6HDAC9BRD4
SCHEMBL1251886 0.80 DGAT1 (0.65) HDAC3HDAC7HDAC6HDAC9BRD4
SCHEMBL19763371 0.80 CHEK2 (0.72) HDAC3HDAC6BRD4KDM4EALDH1A1
SCHEMBL1250492 0.79 DGAT1 (0.82) HDAC3HDAC7HDAC6HDAC9DGAT1
SCHEMBL12834035 0.79 KDM4E (0.73) HDAC3HDAC6BRD4KDM4EALDH1A1

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 690/4885HDAC7 2239/4885HDAC6 704/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 HDAC3 690/4885HDAC7 2239/4885HDAC6 704/4885

“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.