SCHEMBL1250132

SCHEMBL1250132

CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.66
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HPSE Q9Y251 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ NR2E3 Q9Y5X4 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 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
SCHEMBL1250133 1.00 DGAT1 (0.66) DGAT1CA12CA1CA2CA9
SCHEMBL1248588 0.84 DGAT1 (0.67) DGAT1HPSEHDAC3HDAC6NR2E3
SCHEMBL1251539 0.82 DGAT1 (0.84) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1251104 0.82 DGAT1 (0.79) DGAT1HDAC3HDAC6NR2E3CYP3A4
SCHEMBL1250987 0.82 DGAT1 (0.79) DGAT1HPSENR2E3CYP3A4CHEK2
SCHEMBL1248774 0.81 DGAT1 (1.00) DGAT1HDAC6NR2E3CYP3A4CHEK2
SCHEMBL1250312 0.80 DGAT1 (0.79) DGAT1HDAC6NR2E3CHEK2
SCHEMBL1249930 0.79 DGAT1 (0.85) DGAT1HPSEHDAC3HDAC6NR2E3
SCHEMBL1250412 0.79 DGAT1 (0.82) DGAT1HDAC3HDAC7HDAC6HDAC9
SCHEMBL1251452 0.79 DGAT1 (0.80) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US 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-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 — — US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US 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
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — 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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885CA12 3996/4885CA1 3619/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885CA12 4460/4885CA1 4116/4885

“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.

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