SCHEMBL1251505

SCHEMBL1251505

O=C(O)c1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])n(CCO)c2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 11/20 0.43
▸ VDR P11473 10/20 0.43
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ PIN1 Q13526 2/20 0.41
▸ PTGER4 P35408 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.38
▸ HCAR3 P49019 1/20 0.38

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
SCHEMBL3168338 0.89 NR1H4 (0.49) NR1H4VDRPIN1PTGER4
SCHEMBL3178026 0.86 VDR (0.48) NR1H4VDRAGTR1AGTR2HCAR3
SCHEMBL1250558 0.84 MAPT (0.46) IRAK4
SCHEMBL3171773 0.79 PTGER4 (0.48) NR1H4PIN1PTGER4
SCHEMBL3167934 0.79 PTGER4 (0.49) NR1H4VDRPIN1PTGER4
SCHEMBL3171231 0.75 PTGER4 (0.48) NR1H4VDRAGTR1AGTR2PIN1
SCHEMBL3176844 0.74 PIN1 (0.52) NR1H4VDRPIN1PTGER4
SCHEMBL3175866 0.73 VDR (0.55) NR1H4VDR
SCHEMBL6169361 0.72 AGTR1 (0.58) AGTR1AGTR2DCTPP1
SCHEMBL1248717 0.71 DGAT1 (0.48) —

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
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-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
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 (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 NR1H4 858/4885VDR 2630/4885AGTR1 2007/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA NR1H4 611/4885VDR 2902/4885AGTR1 1408/4885

“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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