SCHEMBL3171773

SCHEMBL3171773

O=C(O)c1ccc2nc(-c3ccccc3Cl)n(CCO)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.48
▸ PDE2A O00408 5/20 0.45
▸ PDE10A Q9Y233 5/20 0.45
▸ ACSS2 Q9NR19 1/20 0.45
▸ ESR2 Q92731 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43

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 0.87 NR1H4 (0.49) PTGER4PDE2AACSS2PIN1NR1H4
SCHEMBL3171683 0.83 VDR (0.52) PDE2APDE10AESR2LMNAKDM4E
SCHEMBL3176844 0.81 PIN1 (0.52) PTGER4PIN1KDM4EALDH1A1NR1H4
SCHEMBL1250538 0.81 ACSS2 (0.49) PDE2APDE10AACSS2ESR2KMT2A
SCHEMBL1251505 0.79 NR1H4 (0.43) PTGER4PIN1NR1H4
SCHEMBL3167934 0.79 PTGER4 (0.49) PTGER4ACSS2PIN1NR1H4
SCHEMBL3171231 0.75 PTGER4 (0.48) PTGER4ACSS2PPARGPIN1NR1H4
SCHEMBL17263036 0.73 ACSS2 (0.77) ACSS2
SCHEMBL6169166 0.73 PPARG (0.57) ACSS2PPARGKDM4EALDH1A1HPGD
SCHEMBL14361915 0.73 ESR2 (0.79) PDE2APDE10AESR2

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-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-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 (1 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA PTGER4 2842/4885PDE2A 735/4885PDE10A 2284/4885

“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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