SCHEMBL566003

SCHEMBL566003

O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.80
MAOA P21397 9/20 0.80
TLR4 O00206 6/20 0.62
TLR2 O60603 6/20 0.62
GSK3B P49841 1/20 0.59
BACE1 P56817 1/20 0.59
FBP1 P09467 1/20 0.57
NR4A2 P43354 1/20 0.53

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
SCHEMBL566004 1.00 MAOB (0.80) MAOBMAOATLR4TLR2GSK3B
SCHEMBL236394 0.84 MAOA (0.72) MAOBMAOATLR4TLR2GSK3B
SCHEMBL236393 0.84 MAOA (0.72) MAOBMAOATLR4TLR2GSK3B
SCHEMBL4342895 0.80 MAOB (0.61) MAOBMAOANR4A2
SCHEMBL31634183 0.80 MAOB (0.61) MAOBMAOANR4A2
SCHEMBL1347334 0.79 MAOB (0.76) MAOBMAOAGSK3BBACE1NR4A2
SCHEMBL29464145 0.79 MAOB (0.76) MAOBMAOAGSK3BBACE1NR4A2
SCHEMBL509860 0.78 MAOA (0.72) MAOBMAOATLR4TLR2FBP1
SCHEMBL509861 0.78 MAOA (0.72) MAOBMAOATLR4TLR2FBP1
SCHEMBL5035057 0.78 GSK3B (0.78) MAOBGSK3BBACE1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 MAOB 4070/4885MAOA 4106/4885TLR4 1902/4885

“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.