SCHEMBL1803771

SCHEMBL1803771

[CH2]c1nc(-c2cccnc2)oc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP1A2 P05177 4/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
TP53 P04637 3/20 0.52
HPGD P15428 3/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ELANE P08246 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA4 P43681 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL1803772 0.83 ALDH1A1 (0.55) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL3758086 0.80 KDM4E (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1863083 0.79 TP53 (0.47) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL13633903 0.78 ALDH1A1 (0.50) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL4415685 0.76 NPC1 (0.49) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL20022402 0.75 IKBKB (0.58) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL5543447 0.72 SLC9A1 (0.48) KDM4ETP53
SCHEMBL5536092 0.72 NPC1 (0.50) NPC1RAB9AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4030129 0.72 KDM4E (0.74) NPC1RAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL15560459 0.72 CYP1A2 (0.48) NPC1RAB9AALDH1A1HSD17B10CYP1A2

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 NPC1 129/4885RAB9A 2210/4885ALDH1A1 1066/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 NPC1 129/4885RAB9A 2210/4885ALDH1A1 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.