SCHEMBL566568

SCHEMBL566568

CCCOc1c(Cl)cc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.61
S1PR3 Q99500 3/20 0.61
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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) S1PR1S1PR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL566536 0.82 S1PR1 (0.66) S1PR1S1PR3MAPTSMN1; SMN2HSD17B10
SCHEMBL564960 0.81 S1PR1 (0.70) S1PR1S1PR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL566226 0.78 S1PR1 (0.65) S1PR1S1PR3MAPTSMN1; SMN2MAOB
SCHEMBL564986 0.76 S1PR1 (1.00) S1PR1S1PR3MAPTSMN1; SMN2ALDH1A1
SCHEMBL2335415 0.75 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL404150 0.75 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL15662869 0.74 MAP4K4 (0.52) S1PR1S1PR3
SCHEMBL15661823 0.73 S1PR1 (0.82) S1PR1S1PR3
SCHEMBL14330164 0.73 S1PR1 (0.89) S1PR1S1PR3MAPTSMN1; SMN2ALDH1A1

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 3/4885BRD4 950/4885

“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.