SCHEMBL1811280

SCHEMBL1811280

COc1ccccc1-c1nc(CN2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CC2C)c(C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL1811946 0.90 ALDH1A1 (0.44) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL1808071 0.89 KMT2A (0.43) LMNATP53MAPTALDH1A1MAPK1
SCHEMBL1812088 0.88 NR1H2 (0.38) LMNAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL1810361 0.86 NR1H2 (0.43) LMNAMAPTALDH1A1KDM4ENR1H2
SCHEMBL1812016 0.83 NR1H2 (0.39) LMNATP53MAPTALDH1A1MAPK1
SCHEMBL1808332 0.83 KDM4E (0.43) LMNAMAPTALDH1A1PPARGPPARA
SCHEMBL4415616 0.82 NR1H2 (0.45) LMNATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL1813232 0.82 PPARG (0.39) LMNAMAPTALDH1A1PPARGPPARA
SCHEMBL4414458 0.82 NR1H2 (0.39) LMNAMAPTALDH1A1MAPK1PPARG
SCHEMBL1811654 0.82 NR1H2 (0.54) LMNATP53MAPTALDH1A1PPARG

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
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
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
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 LMNA 735/4885TP53 3117/4885MAPT 3167/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 LMNA 735/4885TP53 3117/4885MAPT 3167/4885

“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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