SCHEMBL1389428

SCHEMBL1389428

N#Cc1ccc2cc(-c3ccc(Br)cc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CYP17A1 P05093 1/20 0.54
HRH3 Q9Y5N1 8/20 0.46
PGR P06401 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
AHR P35869 2/20 0.43
KIF11 P52732 1/20 0.42
MMP3 P08254 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL23204393 0.90 CYP11B1 (0.47) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL21531337 0.89 HRH3 (0.50) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL23204740 0.84 HRH3 (0.43) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL744467 0.84 CYP2A6 (0.50) CYP11B1CYP11B2CYP17A1MAOAMAOB
SCHEMBL5477144 0.84 CYP11B1 (0.61) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL7343284 0.82 CYP11B1 (0.65) CYP11B1CYP11B2CYP17A1HRH3PGR
SCHEMBL1773406 0.81 MAOB (0.64) CYP11B2MAOAMAOBAHRKIF11
SCHEMBL15496905 0.81 MAOB (0.64) CYP11B2MAOAMAOBAHRKIF11
SCHEMBL13098708 0.81 ALDH1A1 (0.52) CYP11B1CYP11B2MAOB
SCHEMBL22155637 0.81 MAOB (0.44) CYP11B1CYP11B2HRH3MAOAMAOB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021066319-A2 TERTIARY AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 랩토 2021-04-08 WO disclosed
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-25 US disclosed
EP-2311826-B1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-05-24 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
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
CN-102119158-B Nitrogen-containing heterocyclic compound and organic electronic device using same LG CHEM, LTD. (KR) 2015-09-09 CN disclosed
CN-103333167-A Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD 2013-10-02 CN 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
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-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-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
CN-102119158-A Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD 2011-07-06 CN 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
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 (3 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 CYP11B1 1811/4885CYP11B2 1446/4885CYP17A1 3354/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 CYP11B1 1811/4885CYP11B2 1446/4885CYP17A1 3354/4885
US-20200203632-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, EML4, SLCO2A1 CYP11B1 1279/4885CYP11B2 956/4885CYP17A1 2153/4885

“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.