SCHEMBL1802343

SCHEMBL1802343

COC(=O)c1ccc(-c2nc(CN3c4ccc(C(O)(C(F)(F)F)C(F)(F)F)cc4CC3C)c(C)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSD17B10 Q99714 5/20 0.46
▸ USP2 O75604 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HRH1 P35367 1/20 0.43
▸ TP53 P04637 4/20 0.42
▸ THRB P10828 3/20 0.42
▸ MAPT P10636 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL1810045 0.92 ALDH1A1 (0.47) MEN1KMT2AHSD17B10USP2ALOX15
SCHEMBL1810890 0.91 POLB (0.41) MEN1KMT2AHSD17B10USP2ALOX15
SCHEMBL1812016 0.88 NR1H2 (0.39) MEN1KMT2ATP53THRBMAPT
SCHEMBL1808332 0.88 KDM4E (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1802981 0.88 PPARG (0.40) KMT2AHSD17B10USP2ALOX15TP53
SCHEMBL1808669 0.88 NPSR1 (0.42) MEN1KMT2AUSP2TP53MAPT
SCHEMBL4414458 0.88 NR1H2 (0.39) MEN1KMT2AHSD17B10USP2ALOX15
SCHEMBL1813232 0.88 PPARG (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1807119 0.87 NR1H2 (0.43) MEN1KMT2AHSD17B10USP2ALOX15
SCHEMBL1810361 0.87 NR1H2 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1

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 MEN1 1598/4885KMT2A 2809/4885HSD17B10 473/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 MEN1 1598/4885KMT2A 2809/4885HSD17B10 473/4885

“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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