SCHEMBL566071

SCHEMBL566071

CCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc1Br

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.71
S1PR3 Q99500 7/20 0.71
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL566479 0.84 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL566399 0.83 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL566042 0.83 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL566253 0.77 S1PR1 (0.67) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL564960 0.76 S1PR1 (0.70) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL177604 0.75 S1PR1 (0.53) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL13416834 0.75 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2MAPTALDH1A1
SCHEMBL566290 0.75 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL4420175 0.75 S1PR1 (0.64) S1PR1S1PR3SMN1; SMN2MAPT
SCHEMBL2122385 0.74 S1PR1 (0.73) S1PR1S1PR3

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.