SCHEMBL565897

SCHEMBL565897

COc1cc(-c2nc(-c3ccc4[nH]ccc4c3)no2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.56
S1PR3 Q99500 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
MAOB P27338 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL566372 0.92 S1PR1 (0.56) S1PR1S1PR3SMN1; SMN2NPC1MAOB
SCHEMBL566029 0.79 S1PR1 (0.59) S1PR1S1PR3SMN1; SMN2NPC1MAOB
SCHEMBL566226 0.76 S1PR1 (0.65) S1PR1S1PR3SMN1; SMN2NPC1MAOB
SCHEMBL14330164 0.76 S1PR1 (0.89) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL23523827 0.75 SMN1; SMN2 (0.67) S1PR1S1PR3SMN1; SMN2NPC1RAB9A
SCHEMBL30355578 0.75 SMN1; SMN2 (0.67) S1PR1S1PR3SMN1; SMN2NPC1RAB9A
SCHEMBL1250936 0.74 S1PR1 (0.62) S1PR1S1PR3SMN1; SMN2NPC1MAOB
SCHEMBL564986 0.72 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2NPC1MAPT
SCHEMBL566600 0.72 S1PR1 (0.59) S1PR1S1PR3SMN1; SMN2NPC1MAOB
SCHEMBL19639454 0.71 RARB (0.67) SMN1; SMN2MAPTMEN1KMT2AKDM4E

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 S1PR1 1/4885S1PR3 3/4885SMN1; SMN2 2442/4885

“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.