SCHEMBL4415647

SCHEMBL4415647

CC[Si](CC)(CC)OC(c1ccc2c(ccn2Cc2ccccc2)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ KCNQ4 P56696 2/20 0.41
▸ KCNQ5 Q9NR82 2/20 0.41
▸ ERBB2 P04626 3/20 0.41
▸ APP P05067 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 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
SCHEMBL4417792 0.80 ICMT (0.39) HTR6
SCHEMBL4421568 0.78 CCR2 (0.37) BRD4
SCHEMBL4427001 0.78 CCR2 (0.37) BRD4
SCHEMBL1811641 0.76 APP (0.49) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL15627017 0.75 APP (0.50) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL4943561 0.73 ERBB2 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL27976622 0.71 HDAC6 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL27976650 0.71 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL4943931 0.70 ICMT (0.54) KCNQ3KCNQ2KCNQ4KCNQ5ERBB2
SCHEMBL16783105 0.70 APP (0.52) ERBB2APPNPC1HSP90AA1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNQ3 2608/4885KCNQ2 2653/4885KCNQ4 2814/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 KCNQ3 2608/4885KCNQ2 2653/4885KCNQ4 2814/4885

“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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