SCHEMBL177533

SCHEMBL177533

CCOc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
S1PR1 P21453 9/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
HAVCR2 Q8TDQ0 1/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR5 Q9H228 1/20 0.48
MITF O75030 1/20 0.46

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
SCHEMBL15662534 0.87 S1PR1 (0.63) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL9996168 0.85 S1PR1 (0.47) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL177553 0.85 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AS1PR1HSD17B10
SCHEMBL15662740 0.83 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AMAPK1S1PR1
SCHEMBL15662883 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AS1PR1HSD17B10
SCHEMBL15662356 0.82 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AS1PR1HSD17B10
SCHEMBL35210453 0.81 NPC1 (0.64) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL177249 0.81 MAP4K4 (0.57) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL178122 0.81 S1PR1 (0.51) TP53SMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL15662453 0.80 S1PR1 (0.55) SMN1; SMN2NPC1RAB9AS1PR1HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF 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 (3 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 TP53 4551/4885SMN1; SMN2 3064/4885NPC1 931/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 TP53 4551/4885SMN1; SMN2 3064/4885NPC1 931/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 TP53 4385/4885SMN1; SMN2 2073/4885NPC1 1465/4885

“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.