SCHEMBL1389765

SCHEMBL1389765

O=Cc1ccc(Cl)c(Cl)c1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 3/20 0.37
ERN1 O75460 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 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
SCHEMBL3842233 0.82 TDP1 (0.45) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL5865785 0.78 TDP1 (0.42) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL17295769 0.78 TDP1 (0.42) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL1312057 0.78 TDP1 (0.50) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL28557349 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1
SCHEMBL2475165 0.77 ALDH1A1 (0.50) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL30234436 0.77 ALDH1A1 (0.50) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL30287124 0.77 TDP1 (0.47) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL10989431 0.76 TDP1 (0.43) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL23835305 0.74 ERN1 (0.46) TDP1ALDH1A1ERN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311826-B1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-05-24 EP disclosed
EP-2570412-B1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD (KR) 2017-01-04 EP disclosed
CN-103333167-B Novel nitrogen-containing heterocyclic compound and organic electronic device using the same 株式会社LG化学 2016-08-24 CN 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-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 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
EP-2311826-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG Chem, Ltd. (KR) 2011-04-20 EP 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 1851/4885ALDH1A1 2949/4885ERN1 667/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TDP1 1851/4885ALDH1A1 2949/4885ERN1 667/4885

“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.