SCHEMBL3168338

SCHEMBL3168338

O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)n(CCO)c2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 11/20 0.49
▸ VDR P11473 10/20 0.49
▸ PTGER4 P35408 2/20 0.46
▸ PDE2A O00408 1/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ ACSS2 Q9NR19 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ RHEB Q15382 1/20 0.42

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
SCHEMBL1251505 0.89 NR1H4 (0.43) NR1H4VDRPTGER4PIN1
SCHEMBL3171773 0.87 PTGER4 (0.48) NR1H4PTGER4PDE2APIN1ACSS2
SCHEMBL3167934 0.87 PTGER4 (0.49) NR1H4VDRPTGER4PIN1ACSS2
SCHEMBL3171231 0.83 PTGER4 (0.48) NR1H4VDRPTGER4PIN1ACSS2
SCHEMBL3175866 0.83 VDR (0.55) NR1H4VDRPDE2ASLC22A12
SCHEMBL3176844 0.82 PIN1 (0.52) NR1H4VDRPTGER4PIN1RHEB
SCHEMBL1248717 0.81 DGAT1 (0.48) PDE2AACSS2
SCHEMBL1249431 0.75 VDR (0.55) NR1H4VDRPTGER4SLC22A12
SCHEMBL6170515 0.75 SLC22A12 (0.58) NR1H4VDRACSS2SLC22A12
SCHEMBL15644808 0.74 SMN1; SMN2 (0.49) —

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 9 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-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 (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 NR1H4 611/4885VDR 2902/4885PTGER4 2842/4885

“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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