SCHEMBL1808071

SCHEMBL1808071

Cc1oc(-c2ccccc2F)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 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
SCHEMBL1811946 0.92 ALDH1A1 (0.44) KMT2AMAPTALDH1A1TSHRLMNA
SCHEMBL1812088 0.91 NR1H2 (0.38) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1811280 0.89 LMNA (0.42) KMT2AMAPTALDH1A1TSHRLMNA
SCHEMBL1810361 0.89 NR1H2 (0.43) KMT2AMAPTALDH1A1LMNAPOLB
SCHEMBL1811061 0.85 NR1H2 (0.40) KMT2AMAPTALDH1A1L3MBTL1TSHR
SCHEMBL1808332 0.85 KDM4E (0.43) KMT2AMAPTALDH1A1L3MBTL1LMNA
SCHEMBL1812016 0.85 NR1H2 (0.39) KMT2AMAPTALDH1A1L3MBTL1TSHR
SCHEMBL4415616 0.84 NR1H2 (0.45) KMT2AMAPTALDH1A1TSHRLMNA
SCHEMBL4414458 0.84 NR1H2 (0.39) KMT2AMAPTALDH1A1L3MBTL1LMNA
SCHEMBL1813232 0.84 PPARG (0.39) KMT2AMAPTALDH1A1L3MBTL1LMNA

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 KMT2A 2809/4885MAPT 3167/4885ALDH1A1 1066/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 KMT2A 2809/4885MAPT 3167/4885ALDH1A1 1066/4885

“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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