SCHEMBL16159504

SCHEMBL16159504

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(-c5ccc(-c6cscn6)cc5)c5ccccc5c(-c5ccc(-c6cscn6)cc5)c4c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
KAT6A Q92794 1/20 0.36
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
ESR1 P03372 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
GRK5 P34947 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL16159503 0.97 SCN9A (0.42) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL16159430 0.97 SCN9A (0.39) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL16159565 0.97 SCN9A (0.39) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL16159132 0.93 SCN9A (0.44) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL16159194 0.92 SCN9A (0.45) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL17704327 0.92 SCN9A (0.45) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL16159128 0.92 SCN9A (0.45) SCN9AKAT6ANPC1RAB9ASMN1; SMN2
SCHEMBL17704324 0.91 NPC1 (0.43) SCN9AKAT6ANPC1RAB9AMEN1
SCHEMBL16159896 0.90 SCN9A (0.37) SCN9AKAT6APIK3CAMAP4K4GRK5
SCHEMBL16159929 0.88 SCN9A (0.38) SCN9AKAT6APIK3CAMAP4K4GRK5

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 1106/4885NPC1 1112/4885

“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.