SCHEMBL1249930

SCHEMBL1249930

O=C(Nc1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.85
CHEK2 O96017 2/20 0.62
NR2E3 Q9Y5X4 2/20 0.60
PRSS12 P56730 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
CYP3A4 P08684 1/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP13 P45452 3/20 0.54
COMT P21964 1/20 0.54

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
SCHEMBL1250343 0.97 DGAT1 (0.80) DGAT1CHEK2NR2E3PRSS12KDM4E
SCHEMBL1250342 0.93 DGAT1 (0.82) DGAT1CHEK2NR2E3PRSS12MMP2
SCHEMBL1248774 0.92 DGAT1 (1.00) DGAT1CHEK2NR2E3PRSS12CYP3A4
SCHEMBL4157040 0.91 DGAT1 (0.75) DGAT1CHEK2NR2E3PRSS12KDM4E
SCHEMBL1249424 0.91 DGAT1 (0.82) DGAT1CHEK2NR2E3KDM4EMEN1
SCHEMBL1250221 0.91 DGAT1 (0.85) DGAT1CHEK2NR2E3CYP3A4HDAC6
SCHEMBL1250626 0.91 DGAT1 (0.77) DGAT1CHEK2NR2E3MAPTHDAC6
SCHEMBL1251547 0.90 DGAT1 (0.84) DGAT1CHEK2NR2E3POLBMAPT
SCHEMBL1251539 0.90 DGAT1 (0.84) DGAT1CHEK2NR2E3CYP3A4MMP2
SCHEMBL1249356 0.90 DGAT1 (0.70) DGAT1CHEK2NR2E3MAPTHDAC6

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 11 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-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 1/4885CHEK2 4427/4885NR2E3 1657/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885CHEK2 4425/4885NR2E3 3620/4885

“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.