SCHEMBL16159646

SCHEMBL16159646

c1ccc(-n2c3cc(-c4cccc(-c5ncco5)n4)ccc3c3ccc(-c4cccc(-c5ncco5)n4)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
HPGDS O60760 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPK8 P45983 7/20 0.35
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KHK P50053 1/20 0.32
BRD4 O60885 1/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
METAP2 P50579 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL16159613 0.88 IRAK4 (0.33) LTA4HHPGDSIRAK4MAPK8MCL1
SCHEMBL16159573 0.85 PTGS1 (0.35) LTA4HHPGDSIRAK4MCL1L3MBTL1
SCHEMBL16159306 0.84 HPGDS (0.44) LTA4HHPGDSMAPK8MCL1KDM4E
SCHEMBL16159839 0.83 LTA4H (0.49) LTA4HHPGDSMAPK8MCL1KDM4E
SCHEMBL16159379 0.83 HPGDS (0.42) LTA4HHPGDSIRAK4MAPK8MCL1
SCHEMBL16159710 0.80 LTA4H (0.41) LTA4HHPGDSIRAK4MCL1KDM4E
SCHEMBL14114031 0.79 MEN1 (0.44) KDM4EATML3MBTL1MEN1RAB9A
SCHEMBL14114029 0.79 L3MBTL1 (0.55) KDM4EATML3MBTL1MEN1RAB9A
SCHEMBL14114039 0.79 L3MBTL1 (0.55) KDM4EATML3MBTL1MEN1RAB9A
SCHEMBL16159873 0.78 HPGDS (0.42) LTA4HHPGDSMAPK8MCL1KDM4E

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 LTA4H 1673/4885HPGDS 4461/4885IRAK4 3223/4885

“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.