SCHEMBL177371

SCHEMBL177371

O=c1c2cc(Br)ccc2oc2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.55
KMT2A Q03164 3/20 0.44
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 5/20 0.40

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
SCHEMBL17690425 0.88 IDO1 (0.43) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL17690402 0.80 IDO1 (0.43) TBK1KMT2AKDM4EMEN1MAPT
SCHEMBL9996158 0.77 TBK1 (0.50) TBK1KMT2AHSD17B10KDM4EMEN1
SCHEMBL23327971 0.75 CA9 (0.43) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL29416622 0.75 PIM1 (0.58) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL2588529 0.75 PIM1 (0.58) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL2371734 0.74 TBK1 (0.54) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL10617204 0.74 IDO1 (0.49) KMT2AHSD17B10KDM4EMEN1MAPT
SCHEMBL2592127 0.74 MAOA (0.67) TBK1KMT2AGABRPGABRDGABRA1
SCHEMBL30284875 0.74 MAOA (0.67) TBK1KMT2AGABRPGABRDGABRA1

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 9 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
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 TBK1 731/4885KMT2A 2386/4885GABRP 793/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 TBK1 731/4885KMT2A 2386/4885GABRP 793/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 TBK1 449/4885KMT2A 3231/4885GABRP 330/4885

“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.