SCHEMBL9996236

SCHEMBL9996236

CCCOc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 6/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
S1PR1 P21453 11/20 0.51
S1PR3 Q99500 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL15662740 0.91 SMN1; SMN2 (0.74) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL177604 0.89 S1PR1 (0.53) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL15662846 0.89 SMN1; SMN2 (0.64) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL15661685 0.88 S1PR1 (0.46) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL177232 0.88 S1PR1 (0.59) SMN1; SMN2HSD17B10KDM4ES1PR1S1PR3
SCHEMBL15662356 0.88 SMN1; SMN2 (0.76) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL177553 0.86 SMN1; SMN2 (0.70) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL177399 0.85 S1PR1 (0.56) SMN1; SMN2S1PR1S1PR3
SCHEMBL9996202 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MAPTHSD17B10KDM4EALDH1A1
SCHEMBL178164 0.84 MAPT (0.48) SMN1; SMN2MAPTALDH1A1LMNAS1PR1

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 8 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

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 SMN1; SMN2 3064/4885MAPT 4096/4885HSD17B10 2960/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 SMN1; SMN2 3064/4885MAPT 4096/4885HSD17B10 2960/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 SMN1; SMN2 2073/4885MAPT 4621/4885HSD17B10 4007/4885

“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.