SCHEMBL10041683

SCHEMBL10041683

O=Cc1cccnc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
PTAFR P25105 1/20 0.39
NFE2L2 Q16236 2/20 0.39
ERN1 O75460 1/20 0.39
GAA P10253 1/20 0.38
NR4A2 P43354 1/20 0.38
S100A4 P26447 1/20 0.37
CDC25B P30305 1/20 0.37
RORB Q92753 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL19847059 0.85 IDO1 (0.40) TDP1TRIM24TRIM33ALDH1A1PTAFR
SCHEMBL6772449 0.82 DPP4 (0.53) TDP1TRIM24TRIM33NFE2L2ERN1
SCHEMBL10041684 0.81 TDP1 (0.49) TDP1TRIM24TRIM33NPC1RAB9A
SCHEMBL23948348 0.78 TRIM24 (0.48) TDP1TRIM24TRIM33NPC1RAB9A
SCHEMBL19154063 0.77 TRIM24 (0.47) TDP1TRIM24TRIM33ALDH1A1MAPT
SCHEMBL22927808 0.76 RORB (0.52) TRIM24TRIM33NFE2L2RORBPDE4D
SCHEMBL29434795 0.76 RORB (0.52) TRIM24TRIM33NFE2L2RORBPDE4D
SCHEMBL1860954 0.76 TRIM24 (0.46) TDP1TRIM24TRIM33NPC1RAB9A
SCHEMBL29773795 0.75 TRIM24 (0.61) TDP1TRIM24TRIM33ALDH1A1NPC1
SCHEMBL10041694 0.75 TRIM24 (0.42) TRIM24TRIM33ALDH1A1MAPTNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570412-B1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD (KR) 2017-01-04 EP disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 EP disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 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 (2 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TDP1 1851/4885TRIM24 1740/4885TRIM33 2691/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TDP1 1851/4885TRIM24 1740/4885TRIM33 2691/4885

“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.