SCHEMBL822746

SCHEMBL822746

Cn1ncc2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRNP P04156 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC2A1 P11166 1/20 0.40
CDK8 P49336 1/20 0.40
HPRT1 P00492 1/20 0.39
GLA P06280 2/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL822695 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10654247 0.76 HPGD (0.37) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL24131033 0.76 CYP1A2 (0.41) ALDH1A1HSD17B10CYP2A6KDM4ELMNA
SCHEMBL31399060 0.76 GPR3 (0.50) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL30253920 0.74 TRPM4 (0.46) ALDH1A1HSD17B10KDM4ELMNAHPGD
Ammonia Solution, Strong SCHEMBL5028583 0.74 HASPIN (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL31668718 0.73 ADRA2A (0.45) ALDH1A1HSD17B10CYP2A6KDM4EHPGD
SCHEMBL8030619 0.73 ADRA2A (0.45) ALDH1A1HSD17B10CYP2A6KDM4EHPGD
SCHEMBL5028582 0.73 HTR2A (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29509350 0.72 NPC1 (0.51) ALDH1A1HSD17B10TDP1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
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
US-20110215312-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-08 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 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 ALDH1A1 1002/4885HSD17B10 2464/4885CYP2A6 2473/4885

“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.