SCHEMBL3278690

SCHEMBL3278690

Oc1cccc(-c2c(-c3ccccc3)nnc3c(Cl)cccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.53
NR1H3 Q13133 5/20 0.48
DHODH Q02127 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA1 P30542 1/20 0.38
PTPN1 P18031 1/20 0.38
ESR1 P03372 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL3278540 0.87 NR1H2 (0.52) NR1H2NR1H3DHODHMAPTNPSR1
SCHEMBL3279253 0.83 NR1H2 (0.51) NR1H2NR1H3DHODHMAPTADORA1
SCHEMBL3279768 0.82 NR1H2 (0.43) NR1H2NR1H3HSD17B1HSD17B2MAPT
SCHEMBL3278906 0.81 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL35232 0.80 NR1H2 (0.61) NR1H2NR1H3HSD17B1HSD17B2ADORA1
SCHEMBL3278573 0.79 DHODH (0.46) NR1H2NR1H3DHODHMAPTNPSR1
SCHEMBL3285054 0.79 CNR1 (0.55) NR1H2NR1H3MAPTNPSR1
SCHEMBL3279134 0.77 NR1H2 (0.44) NR1H2NR1H3DHODH
SCHEMBL5506808 0.77 NR1H2 (0.45) NR1H2NR1H3DHODHMAPTNPSR1
SCHEMBL3280134 0.75 NR1H2 (0.64) NR1H2NR1H3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US claimed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP claimed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO claimed
US-7700595-B2 such as 3-benzyl-4-phenyl-8-(trifluoromethyl)cinnoline; modulators of Liver X receptors (LXRs) WYETH LLC (US) 2010-04-20 US disclosed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN disclosed
EP-1853566-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODULATORS Wyeth (US) 2007-11-14 EP disclosed
US-20060252757-A1 Cinnoline compounds WYETH 2006-11-09 US disclosed
WO-2006094034-A1 CINNOLINE COMPOUNDS AND THEIR USE AS LIVER X RECEPTOR MODILATORS WYETH (US) 2006-09-08 WO 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 (1 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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 NR1H2 2/4885NR1H3 1/4885DHODH 2309/4885

“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.