SCHEMBL1807883

SCHEMBL1807883

Cc1oc(-c2ccc(Cl)cc2)nc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARD Q03181 5/20 0.53
PPARA Q07869 5/20 0.53
NR1H2 P55055 6/20 0.48
NR1H3 Q13133 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.38
USP2 O75604 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
SCHEMBL5562121 0.92 PPARG (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1811081 0.92 PPARA (0.61) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL4415663 0.91 PPARG (0.54) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1802207 0.91 PPARG (0.54) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1812285 0.91 PPARG (0.54) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1809939 0.90 PPARG (0.55) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1810559 0.90 NR1H2 (0.61) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1811442 0.90 PPARG (0.57) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1809992 0.90 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL1809466 0.89 PPARG (0.50) PPARGPPARDPPARANR1H2NR1H3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682192-B2 2011-05-11 JP claimed
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP claimed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN claimed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP claimed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US claimed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO claimed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 US claimed
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 US 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 PPARG 30/4885PPARD 29/4885PPARA 33/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 PPARG 30/4885PPARD 29/4885PPARA 33/4885

“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.