SCHEMBL178122

SCHEMBL178122

CCCc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
S1PR3 Q99500 5/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 2/20 0.49
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MCL1 Q07820 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
SCHEMBL177415 0.82 S1PR1 (0.47) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL177533 0.81 TP53 (0.56) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL178137 0.80 MAP4K4 (0.48) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL15661844 0.79 S1PR1 (0.43) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL177553 0.77 SMN1; SMN2 (0.70) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL15662912 0.76 CA12 (0.48) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL15662534 0.76 S1PR1 (0.63) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL177604 0.76 S1PR1 (0.53) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL9996236 0.76 SMN1; SMN2 (0.61) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL15662846 0.75 SMN1; SMN2 (0.64) S1PR1ALDH1A1SMN1; SMN2NPC1MAPT

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 S1PR1 1/4885ALDH1A1 3172/4885SMN1; SMN2 3064/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR1 1/4885ALDH1A1 3172/4885SMN1; SMN2 3064/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885ALDH1A1 3392/4885SMN1; SMN2 2073/4885

“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.