SCHEMBL16159787

SCHEMBL16159787

c1ccc(-c2ccccc2-c2ccc3c(-c4cncc(-c5cscn5)c4)c4ccccc4c(-c4cncc(-c5cscn5)c4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
CHEK2 O96017 1/20 0.37
FEN1 P39748 6/20 0.33
ALOX5AP P20292 5/20 0.33
KAT6A Q92794 1/20 0.33
PIK3CA P42336 2/20 0.33
KDR P35968 1/20 0.32
BDKRB2 P30411 1/20 0.31
PIM1 P11309 1/20 0.31
ALPL P05186 2/20 0.31
IDO1 P14902 2/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL16159768 0.91 SCN9A (0.38) SCN9ACHEK2KAT6APIK3CAKDR
SCHEMBL16159929 0.91 SCN9A (0.38) SCN9ACHEK2KAT6APIK3CAKDR
SCHEMBL16159882 0.90 SCN9A (0.39) SCN9ACHEK2KAT6APIK3CAKDR
SCHEMBL16159896 0.90 SCN9A (0.37) SCN9ACHEK2KAT6APIK3CAKDR
SCHEMBL16159669 0.89 SCN9A (0.44) SCN9ACHEK2KAT6APIK3CAIDO1
SCHEMBL17704447 0.88 SCN9A (0.41) SCN9ACHEK2BDKRB2IDO1TDO2
SCHEMBL16159916 0.86 SCN9A (0.38) SCN9ACHEK2PIK3CABDKRB2IDO1
SCHEMBL16159786 0.86 SCN9A (0.41) SCN9ACHEK2KAT6AKDRBDKRB2
SCHEMBL16159097 0.85 SCN9A (0.42) SCN9ACHEK2FEN1ALOX5APKAT6A
SCHEMBL16159215 0.84 SCN9A (0.39) SCN9ACHEK2FEN1ALOX5APKAT6A

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 1007/4885CHEK2 4800/4885FEN1 2697/4885

“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.