SCHEMBL16159573

SCHEMBL16159573

c1cc(-c2ccc3c4ccc(-c5cccc(-c6ncco6)n5)cc4n(-c4cccc5ccccc45)c3c2)nc(-c2ncco2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
PIK3R2 O00459 7/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16159832 0.87 LTA4H (0.41) PTGS1PTGS2ALDH1A1POLBHPGD
SCHEMBL16159373 0.87 HPGDS (0.35) PTGS1PTGS2IRAK4ALDH1A1POLB
SCHEMBL16159307 0.86 HPGDS (0.38) PTGS1PTGS2ALDH1A1POLBHPGD
SCHEMBL16159646 0.85 LTA4H (0.38) IRAK4HPGDL3MBTL1MEN1KMT2A
SCHEMBL16159880 0.82 CCNC (0.36) PTGS1PTGS2ALDH1A1POLBHPGD
SCHEMBL16159710 0.80 LTA4H (0.41) IRAK4ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL16159613 0.79 IRAK4 (0.33) IRAK4HPGDPIK3R2LTA4HBRD4
SCHEMBL9973679 0.78 CYP19A1 (0.43) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL16159663 0.77 RAB9A (0.41) IRAK4ALDH1A1HPGDPIK3R2SMN1; SMN2
SCHEMBL16159264 0.77 CYP11B1 (0.42) PTGS1PTGS2ALDH1A1POLBHPGD

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 PTGS1 3945/4885PTGS2 4050/4885IRAK4 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.