SCHEMBL3178974

SCHEMBL3178974

CC(=O)Nc1cc(C)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.58
HDAC3 O15379 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
TDP1 Q9NUW8 2/20 0.54
HSP90AA1 P07900 1/20 0.54
ESR2 Q92731 1/20 0.54
THRB P10828 1/20 0.54
NR4A2 P43354 1/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
TP53 P04637 5/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
CHEK2 O96017 2/20 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
SCHEMBL1250290 0.85 DGAT1 (0.80) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3172174 0.84 HDAC3 (0.75) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3172185 0.83 ALDH1A1 (0.72) TDP1NR4A2KDM4EALDH1A1HPGD
SCHEMBL1251774 0.82 DGAT1 (0.65) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1251056 0.81 DGAT1 (0.80) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3167982 0.81 DGAT1 (0.68) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3162874 0.80 HDAC3 (0.56) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL27786026 0.78 HSP90AA1 (0.53) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL3177891 0.77 DGAT1 (0.58) DGAT1TDP1HSP90AA1ESR2NR4A2
SCHEMBL1250566 0.77 DGAT1 (0.63) DGAT1HDAC3HDAC7HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885HDAC3 176/4885HDAC7 666/4885

“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.