SCHEMBL1250342

SCHEMBL1250342

O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.82
NR2E3 Q9Y5X4 4/20 0.64
CHEK2 O96017 2/20 0.61
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MMP2 P08253 3/20 0.58
MMP9 P14780 3/20 0.58
MMP8 P22894 3/20 0.58
MMP13 P45452 3/20 0.58
PRSS12 P56730 3/20 0.57
HPSE Q9Y251 1/20 0.57
KDR P35968 2/20 0.56

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
SCHEMBL1249930 0.93 DGAT1 (0.85) DGAT1NR2E3CHEK2HDAC3HDAC1
SCHEMBL1250343 0.90 DGAT1 (0.80) DGAT1NR2E3CHEK2MMP2MMP9
SCHEMBL1248774 0.90 DGAT1 (1.00) DGAT1NR2E3CHEK2HDAC6PRSS12
SCHEMBL1250626 0.89 DGAT1 (0.77) DGAT1NR2E3CHEK2HDAC6
SCHEMBL1251539 0.88 DGAT1 (0.84) DGAT1NR2E3CHEK2HDAC3HDAC6
SCHEMBL1251547 0.88 DGAT1 (0.84) DGAT1NR2E3CHEK2KDR
SCHEMBL1250956 0.87 DGAT1 (0.78) DGAT1NR2E3CHEK2KDR
SCHEMBL1249997 0.87 DGAT1 (0.82) DGAT1NR2E3CHEK2KDR
SCHEMBL1250221 0.87 DGAT1 (0.85) DGAT1NR2E3CHEK2HDAC6KDR
SCHEMBL1251450 0.86 DGAT1 (0.77) DGAT1NR2E3KDR

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 14 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-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-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
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 (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 1/4885NR2E3 1657/4885CHEK2 4427/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885NR2E3 3620/4885CHEK2 4425/4885

“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.