SCHEMBL16159503

SCHEMBL16159503

c1ccc(-c2cccc(-c3ccc4c(-c5ccc(-c6cscn6)cc5)c5ccccc5c(-c5ccc(-c6cscn6)cc5)c4c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
KAT6A Q92794 1/20 0.39
GRK5 P34947 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CA P42336 1/20 0.34
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAP4K4 O95819 1/20 0.33
EGFR P00533 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
SCHEMBL16159504 0.97 SCN9A (0.40) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159430 0.97 SCN9A (0.39) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159565 0.97 SCN9A (0.39) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL17704327 0.94 SCN9A (0.45) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159194 0.94 SCN9A (0.45) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159128 0.94 SCN9A (0.45) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159132 0.93 SCN9A (0.44) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL17704324 0.91 NPC1 (0.43) SCN9AKAT6AGRK5NPC1RAB9A
SCHEMBL16159882 0.90 SCN9A (0.39) SCN9AKAT6AGRK5PIK3CAMKNK1
SCHEMBL16159929 0.88 SCN9A (0.38) SCN9AKAT6AGRK5PIK3CAMAP4K4

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 1007/4885KAT6A 1106/4885GRK5 3547/4885

“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.