SCHEMBL16159669

SCHEMBL16159669

c1ccc(-c2ccccc2-c2ccc3c(-c4ccc(-c5cscn5)cc4)c4ccccc4c(-c4ccc(-c5cscn5)cc4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
CHEK2 O96017 1/20 0.36
KAT6A Q92794 1/20 0.36
IDO1 P14902 2/20 0.33
PIK3CA P42336 1/20 0.33
ESR1 P03372 2/20 0.33
ACACA Q13085 2/20 0.33
TDO2 P48775 1/20 0.33
MAOB P27338 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL16159430 0.90 SCN9A (0.39) SCN9AKAT6APIK3CAESR1NPC1
SCHEMBL16159565 0.90 SCN9A (0.39) SCN9AKAT6APIK3CAESR1NPC1
SCHEMBL16159787 0.89 SCN9A (0.43) SCN9ACHEK2KAT6AIDO1PIK3CA
SCHEMBL16159097 0.88 SCN9A (0.42) SCN9ACHEK2KAT6AIDO1TDO2
SCHEMBL16159504 0.88 SCN9A (0.40) SCN9AKAT6APIK3CAESR1NPC1
SCHEMBL16159503 0.88 SCN9A (0.42) SCN9AKAT6APIK3CAESR1NPC1
SCHEMBL16159478 0.87 KDM4A (0.42) SCN9ACHEK2KAT6AIDO1PIK3CA
SCHEMBL16159355 0.87 SCN9A (0.44) SCN9ACHEK2KAT6AIDO1PIK3CA
SCHEMBL16159215 0.87 SCN9A (0.39) SCN9ACHEK2KAT6AIDO1PIK3CA
SCHEMBL16159657 0.87 SCN9A (0.43) 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 1007/4885CHEK2 4800/4885KAT6A 1106/4885

“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.