SCHEMBL16159698

SCHEMBL16159698

c1ccc2cc(-c3ccc4c(-c5ccc(-c6cscn6)cc5)c5ccccc5c(-c5ccc(-c6cscn6)cc5)c4c3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
CYP1A2 P05177 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
AR P10275 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX5 P09917 1/20 0.37
GRK5 P34947 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL16159863 0.91 SCN9A (0.42) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159811 0.89 CYP11B1 (0.40) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159095 0.88 CYP1A2 (0.37) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159430 0.87 SCN9A (0.39) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159565 0.87 SCN9A (0.39) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159528 0.87 KDM4A (0.39) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159173 0.87 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159341 0.87 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL17704444 0.86 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL16159504 0.85 SCN9A (0.40) SMN1; SMN2CYP1A2ALDH1A1NPC1RAB9A

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 SMN1; SMN2 1913/4885CYP1A2 808/4885ALDH1A1 1285/4885

“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.