SCHEMBL16159657

SCHEMBL16159657

c1ccc2c(-c3ccc4c(-c5ccc(-c6cscn6)cc5)c5ccccc5c(-c5ccc(-c6cscn6)cc5)c4c3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
ENPP1 P22413 2/20 0.39
ENPP3 O14638 1/20 0.39
IDO1 P14902 2/20 0.37
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDO2 P48775 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PARP1 P09874 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL16159481 0.95 ENPP1 (0.40) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159866 0.93 SCN9A (0.49) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL17704447 0.89 SCN9A (0.41) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159096 0.89 SCN9A (0.40) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159174 0.88 SCN9A (0.37) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159488 0.88 KDM4A (0.38) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159227 0.88 SCN9A (0.45) SCN9AENPP1ENPP3IDO1TDO2
SCHEMBL16159347 0.88 SCN9A (0.42) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159765 0.88 SCN9A (0.39) SCN9AENPP1ENPP3IDO1MCL1
SCHEMBL16159669 0.87 SCN9A (0.44) SCN9AIDO1TDO2HDAC6PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 SCN9A 1007/4885ENPP1 1600/4885ENPP3 2099/4885

“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.