SCHEMBL16159347

SCHEMBL16159347

c1ccc2c(-c3ccc4c(-c5cc(-c6cscn6)ccn5)c5ccccc5c(-c5cc(-c6cscn6)ccn5)c4c3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
IDO1 P14902 3/20 0.34
KAT6A Q92794 1/20 0.34
TDO2 P48775 2/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL16159767 0.95 SCN9A (0.38) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159488 0.91 KDM4A (0.38) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159866 0.88 SCN9A (0.49) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159355 0.88 SCN9A (0.44) SCN9ACDK9IDO1KAT6ATDO2
SCHEMBL16159657 0.88 SCN9A (0.43) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159096 0.87 SCN9A (0.40) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159703 0.86 ALK (0.38) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159341 0.86 SMN1; SMN2 (0.39) SCN9AKDM4ENPC1ALDH1A1TP53
SCHEMBL16159765 0.86 SCN9A (0.39) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL16159800 0.84 SCN9A (0.42) SCN9AKAT6AKDM4AKDM4BKDM5C

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 1007/4885CCNT1 159/4885CCNA2 557/4885

“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.