SCHEMBL822729

SCHEMBL822729

c1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4A O75164 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL822589 0.97 KDM4A (0.33) PDPK1KDM4AGAAKDM4EATM
SCHEMBL822585 0.94 KDM4E (0.35) KDM4AGAAKDM4EATML3MBTL1
SCHEMBL822800 0.88 NR1H3 (0.36) ALDH1A1GAAKDM4EATML3MBTL1
SCHEMBL822813 0.84 KDM4E (0.36) ALDH1A1HSD17B10GAAKDM4EATM
SCHEMBL822877 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10GAAKDM4EATM
SCHEMBL822753 0.81 NPC1 (0.41) PDPK1KDM4ANPC1LMNARAB9A
SCHEMBL822749 0.79 MAPK9 (0.40) GAAKDM4EATML3MBTL1MEN1
SCHEMBL17467393 0.79 KDM4E (0.38) PDPK1ALDH1A1KDM4EATML3MBTL1
SCHEMBL17467396 0.79 KDM4E (0.38) PDPK1ALDH1A1GAAKDM4EATM
SCHEMBL25121543 0.79 KDM4E (0.37) ALDH1A1GAAKDM4EATML3MBTL1

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 PDPK1 4668/4885ALDH1A1 1002/4885HSD17B10 2464/4885

“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.