SCHEMBL822885

SCHEMBL822885

c1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)-c3cc(-n5nc(-c6ccccc6)nc5-c5ccccc5)ccc3C4)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.44
NR1H2 P55055 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4A O75164 1/20 0.38

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
SCHEMBL822753 0.96 NPC1 (0.41) NR1H3NR1H2NPC1RAB9ALMNA
SCHEMBL822800 0.89 NR1H3 (0.36) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL822585 0.84 KDM4E (0.35) GAAKDM4A
SCHEMBL822589 0.81 KDM4A (0.33) GAAKDM4A
SCHEMBL13921714 0.81 NR1H3 (0.58) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL13921719 0.79 NR1H3 (0.50) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL13921717 0.78 NR1H3 (0.55) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL13921742 0.78 NR1H3 (0.55) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL2339443 0.78 SMN1; SMN2 (0.59) NR1H3NR1H2NPC1RAB9AALDH1A1
SCHEMBL822729 0.77 PDPK1 (0.32) NPC1RAB9AALDH1A1LMNAGAA

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 NR1H3 4825/4885NR1H2 4810/4885NPC1 3359/4885

“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.