SCHEMBL822589

SCHEMBL822589

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL822729 0.97 PDPK1 (0.32) KDM4AKDM4EATML3MBTL1MEN1
SCHEMBL822585 0.97 KDM4E (0.35) KDM4AKDM4EATML3MBTL1MEN1
SCHEMBL822800 0.92 NR1H3 (0.36) KDM4EATML3MBTL1MEN1GAA
SCHEMBL822753 0.85 NPC1 (0.41) KDM4APDPK1
SCHEMBL822877 0.83 ALDH1A1 (0.39) KDM4EATML3MBTL1MEN1GAA
SCHEMBL822813 0.83 KDM4E (0.36) KDM4EATML3MBTL1MEN1GAA
SCHEMBL822885 0.81 NR1H3 (0.44) KDM4AGAA
SCHEMBL25121543 0.80 KDM4E (0.37) KDM4EATML3MBTL1MEN1GAA
SCHEMBL22250052 0.80 KDM4E (0.35) KDM4EATML3MBTL1MEN1GAA
SCHEMBL15304456 0.80 KDM4E (0.41) KDM4EATML3MBTL1MEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 KDM4A 1516/4885KDM4E 1835/4885ATM 4416/4885

“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.