SCHEMBL566029

SCHEMBL566029

COc1cc(-c2nc(-c3ccc4c(c3)CCN4)no2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.59
S1PR3 Q99500 4/20 0.59
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 2/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL566600 0.93 S1PR1 (0.59) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL565897 0.79 S1PR1 (0.56) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL566253 0.78 S1PR1 (0.67) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL4420175 0.76 S1PR1 (0.64) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL566042 0.74 S1PR1 (1.00) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL10171071 0.74 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL566372 0.72 S1PR1 (0.56) S1PR1S1PR3NPC1SMN1; SMN2MAPT
SCHEMBL566290 0.70 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL19639454 0.70 RARB (0.67) SMN1; SMN2MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL566071 0.69 S1PR1 (0.71) S1PR1S1PR3SMN1; SMN2MAPTHSD17B10

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 3/4885NPC1 509/4885

“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.