SCHEMBL4418509

SCHEMBL4418509

CC1Cc2ccccc2N1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
LMNA P02545 2/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 1/20 0.58
BRD4 O60885 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
Propylene Oxide SCHEMBL11346439 0.92 GAA (0.55) GAALMNAALOX12MAPK1BRD4
SCHEMBL11344347 0.89 GAA (0.57) GAALMNAALOX12MAPK1CHRM2
SCHEMBL11349600 0.89 DRD4 (0.55) GAALMNAALOX12MAPK1CHRM2
Propene SCHEMBL11358236 0.84 GAA (0.48) GAALMNAALOX12MAPK1BRD4
SCHEMBL29659985 0.83 MTNR1A (0.56) GAALMNAALOX12MAPK1BRD4
SCHEMBL22262517 0.83 MTNR1A (0.56) GAALMNAALOX12MAPK1BRD4
SCHEMBL22262519 0.83 MTNR1A (0.56) GAALMNAALOX12MAPK1BRD4
SCHEMBL11353598 0.83 GAA (0.47) GAALMNAALOX12MAPK1BRD4
SCHEMBL11351097 0.81 ALDH1A1 (0.65) GAALMNAMAPK1CHRM2CHRM4
SCHEMBL8366931 0.80 CHRM2 (0.59) GAALMNAMAPK1CHRM2CHRM4

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 26 patents — showing the first 20. 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
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
EP-0415885-B1 Bis-Phthalideactones, process for their preparation, and their use in recording materials CIBA GEIGY AG (CH) 1995-03-15 EP disclosed
US-5244860-A PRESSURE-SENSITIVE RECORDING AND TRANSFER MATERIAL CIBA-GEIGY CORPORATION (US) 1993-09-14 US disclosed
US-5024988-A Color reaction system comprising a polycyclic heterocyclic compound, a leuko dye to form a chromogen with the first compound, a Lewis acid and developer CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
US-5013707-A Pressure- or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed
EP-0415885-A1 Bis-Phthalideactones, process for their preparation, and their use in recording materials CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0377406-A1 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-07-11 EP disclosed
EP-0373110-A2 Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY AG (CH) 1990-06-13 EP disclosed
EP-0037491-B1 DIMETHINIC DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING SYNTHETIC AND NATURAL MATERIALS BAYER AG (DE) 1984-02-08 EP disclosed
US-4366314-A STYRYL DYE BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0037491-A2 Dimethinic dyestuffs, their preparation and their use in dyeing synthetic and natural materials BAYER AG (DE) 1981-10-14 EP disclosed
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 GAA 2871/4885LMNA 735/4885ALOX12 1481/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 GAA 2871/4885LMNA 735/4885ALOX12 1481/4885

“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.