SCHEMBL564960

SCHEMBL564960

CCCOc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.70
S1PR3 Q99500 9/20 0.70
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 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
SCHEMBL565957 0.83 S1PR1 (0.67) S1PR1S1PR3SMN1; SMN2BCHEACHE
SCHEMBL566536 0.82 S1PR1 (0.66) S1PR1S1PR3SMN1; SMN2BCHEACHE
SCHEMBL564986 0.82 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2HSD17B10KDM4E
SCHEMBL566568 0.81 S1PR1 (0.61) S1PR1S1PR3SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL14330164 0.80 S1PR1 (0.89) S1PR1S1PR3SMN1; SMN2HSD17B10KDM4E
SCHEMBL177604 0.77 S1PR1 (0.53) S1PR1S1PR3SMN1; SMN2BCHEACHE
SCHEMBL566071 0.76 S1PR1 (0.71) S1PR1S1PR3SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13139470 0.76 BCHE (0.52) S1PR1S1PR3SMN1; SMN2BCHEACHE
SCHEMBL566226 0.76 S1PR1 (0.65) S1PR1S1PR3SMN1; SMN2HSD17B10KDM4E
SCHEMBL13416929 0.76 S1PR1 (1.00) S1PR1S1PR3SMN1; SMN2HSD17B10KDM4E

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.