SCHEMBL822753

SCHEMBL822753

c1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TP53 P04637 3/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4A O75164 1/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SRD5A2 P31213 1/20 0.38
PDPK1 O15530 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
SCHEMBL822885 0.96 NR1H3 (0.44) NPC1RAB9ANR1H2NR1H3SMN1; SMN2
SCHEMBL822800 0.86 NR1H3 (0.36) NPC1RAB9ANR1H2NR1H3SMN1; SMN2
SCHEMBL822589 0.85 KDM4A (0.33) KDM4APDPK1
SCHEMBL822729 0.81 PDPK1 (0.32) NPC1RAB9ALMNAKDM4APDPK1
SCHEMBL822585 0.81 KDM4E (0.35) MAPTKDM4A
SCHEMBL13921714 0.78 NR1H3 (0.58) NPC1RAB9ANR1H2NR1H3SMN1; SMN2
SCHEMBL13921719 0.76 NR1H3 (0.50) NPC1RAB9ANR1H2NR1H3LMNA
SCHEMBL822774 0.76 ALDH1A1 (0.49) NPC1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL13921742 0.75 NR1H3 (0.55) NPC1RAB9ANR1H2NR1H3SMN1; SMN2
SCHEMBL13921717 0.75 NR1H3 (0.55) NPC1RAB9ANR1H2NR1H3SMN1; SMN2

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 NPC1 3359/4885RAB9A 3833/4885NR1H2 4810/4885

“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.