SCHEMBL3277956

SCHEMBL3277956

O=C(c1cccc(COc2cccc(-c3c(-c4ccccc4)nnc4c(Cl)cccc34)c2)c1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
NR1H2 P55055 13/20 0.58
NR1H3 Q13133 10/20 0.58
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
MGLL Q99685 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL3278032 0.82 NR1H2 (0.58) NR1H2NR1H3NPC1RAB9AMRGPRX4
SCHEMBL3280134 0.79 NR1H2 (0.64) ALDH1A1NR1H2NR1H3NPC1
SCHEMBL3279728 0.78 NR1H2 (0.63) NR1H2NR1H3
SCHEMBL1125972 0.73 NR1H2 (1.00) NR1H2NR1H3RAB9A
SCHEMBL1125294 0.71 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL3279745 0.69 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1126046 0.68 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4262794 0.68 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL3278690 0.67 NR1H2 (0.53) NR1H2NR1H3NPSR1
SCHEMBL3279332 0.67 NR1H2 (0.60) NR1H2NR1H3

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
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-7704961-B2 Avermectins and avermectin monosacharides substituted in the 4′-and 4″ position having pesticidal properties MERIAL LIMITED (US) 2010-04-27 US disclosed
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
US-20080194498-A1 Miticides and nematocides well-tolerated by livestock and domestic animals; effective against pesticide-resistant pests; protection for plant propagation material MERIAL, INC. 2008-08-14 US 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 (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-20060252757-A1 Cinnoline compounds NR1H3, NR1H2, CNR1 ALDH1A1 938/4885NR1H2 2/4885NR1H3 1/4885
US-20080194498-A1 Miticides and nematocides well-tolerated by livestock and domestic animals; effective against pesticide-resistant pests; protection for plant propagation material ZYX, MTX1, CHRM1 ALDH1A1 3679/4885NR1H2 2710/4885NR1H3 3232/4885

“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.