SCHEMBL2182891

SCHEMBL2182891

Brc1cccc(N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
SLC6A3 Q01959 1/20 0.53
MGLL Q99685 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
NOX1 Q9Y5S8 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL12190894 0.87 MAOA (0.50) BCHESLC6A3MGLLHDAC6MEN1
SCHEMBL12349411 0.85 HDAC6 (0.49) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL30560697 0.85 HDAC6 (0.49) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL2179656 0.85 HDAC6 (0.49) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL15470433 0.83 HDAC6 (0.48) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL28407558 0.83 HDAC6 (0.48) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL20383142 0.81 FAAH (0.46) BCHESLC6A3MGLLHDAC6MEN1
SCHEMBL2178829 0.81 HDAC6 (0.47) BCHESLC6A3HDAC6MEN1KMT2A
SCHEMBL17006280 0.81 MGLL (0.55) BCHEMGLLMEN1KMT2AL3MBTL1
SCHEMBL1022593 0.79 HDAC6 (0.58) BCHESLC6A3MGLLHDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 WO disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-9837618-B2 Compound and organic electroluminescence device including thesame DOOSAN CORPORATION (KR) 2017-12-05 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
CN-104736541-A Novel compound and organic electroluminescent element comprising same DOOSAN CORP 2015-06-24 CN disclosed
US-9040173-B2 Triphenylene-based compounds and organic electroluminescent device comprising same DOOSAN CORPORATION (KR) 2015-05-26 US disclosed
US-9040173-B2 Triphenylene-based compounds and organic electroluminescent device comprising same DOOSAN CORPORATION (KR) 2015-05-26 US disclosed
US-9040173-B2 Triphenylene-based compounds and organic electroluminescent device comprising same DOOSAN CORPORATION (KR) 2015-05-26 US disclosed
US-20130009136-A1 TRIPHENYLENE-BASED COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2013-01-10 US disclosed
US-20130009136-A1 TRIPHENYLENE-BASED COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2013-01-10 US disclosed
US-20130009136-A1 TRIPHENYLENE-BASED COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2013-01-10 US disclosed
WO-2011081449-A2 TRIPHENYLENE-BASED COMPOUND AND ORGANIC ELECTRO-LUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 (KR) 2011-07-07 WO 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-20130009136-A1 TRIPHENYLENE-BASED COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME TRMT1L, SLC19A2, RPS19 BCHE 4062/4885SLC6A3 909/4885MGLL 1043/4885
US-20150236272-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THESAME INMT, IDO1, IDO2 BCHE 1206/4885SLC6A3 99/4885MGLL 1563/4885

“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.