SCHEMBL16159709

SCHEMBL16159709

c1cc(-c2ncco2)nc(-c2c3ccccc3c(-c3c4ccccc4c(-c4cccc(-c5ncco5)n4)c4ccccc34)c3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
HPGDS O60760 1/20 0.39
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 4/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
LMNA P02545 1/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.34

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
SCHEMBL17704344 0.98 BRD4 (0.41) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL16159645 0.88 HPGDS (0.45) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL315001 0.86 HPGDS (0.44) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL17704338 0.85 MCL1 (0.44) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL16159558 0.85 MCL1 (0.44) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL16159612 0.85 BRD4 (0.44) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL17704341 0.84 MCL1 (0.43) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL16159731 0.83 BRD4 (0.43) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL17704342 0.83 MCL1 (0.42) BRD4HPGDSLTA4HKDM4ETP53
SCHEMBL17704334 0.83 SMN1; SMN2 (0.40) BRD4HPGDSLTA4HKDM4ETP53

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 BRD4 712/4885HPGDS 4461/4885LTA4H 1673/4885

“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.