SCHEMBL1251024

SCHEMBL1251024

O=C(NC1CCCCC1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.62
PRSS12 P56730 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CHEK1 O14757 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHEK2 O96017 2/20 0.47
LMNA P02545 1/20 0.47
SCD O00767 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL1248990 0.87 DGAT1 (0.57) DGAT1PRSS12NPC1CHEK1JAK2
SCHEMBL1337136 0.83 PTGES (0.56) PRSS12NPC1RAB9AL3MBTL1LMNA
SCHEMBL5255237 0.83 PRSS12 (0.64) PRSS12CHEK1CHEK2LMNAHDAC3
SCHEMBL1249662 0.82 DGAT1 (0.73) DGAT1CHEK1JAK2TYK2CHEK2
SCHEMBL1250265 0.82 DGAT1 (0.58) DGAT1PRSS12RAB9AJAK2TYK2
SCHEMBL1249081 0.81 DGAT1 (0.60) DGAT1L3MBTL1JAK2TYK2CHEK2
SCHEMBL1252157 0.81 DGAT1 (0.71) DGAT1CHEK2ITGB1ITGA4ITGB7
SCHEMBL1248765 0.81 TAS1R3 (0.58) DGAT1SMN1; SMN2CHEK2LMNAMEN1
SCHEMBL1248424 0.80 DGAT1 (0.67) DGAT1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1251606 0.80 DGAT1 (0.56) DGAT1JAK2TYK2SMN1; SMN2CHEK2

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 12 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
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 1/4885PRSS12 4183/4885NPC1 32/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA DGAT1 1/4885PRSS12 3478/4885NPC1 208/4885

“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.