SCHEMBL1812088

SCHEMBL1812088

Cc1oc(-c2ccccc2C(F)(F)F)nc1CN1c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2CC1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 8/20 0.38
▸ NR1H3 Q13133 8/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ CNR2 P34972 1/20 0.33
▸ CTSS P25774 1/20 0.33

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 0.91 ALDH1A1 (0.44) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1808071 0.91 KMT2A (0.43) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1811280 0.88 LMNA (0.42) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1810361 0.88 NR1H2 (0.43) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1808332 0.86 KDM4E (0.43) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1811654 0.85 NR1H2 (0.54) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1811941 0.85 NR1H2 (0.54) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1811653 0.85 NR1H2 (0.54) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL1812016 0.84 NR1H2 (0.39) NR1H2NR1H3ALDH1A1KMT2AMAPT
SCHEMBL4415616 0.84 NR1H2 (0.45) NR1H2NR1H3ALDH1A1KMT2AMAPT

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 NR1H2 2/4885NR1H3 3/4885ALDH1A1 1066/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 NR1H2 2/4885NR1H3 3/4885ALDH1A1 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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