SCHEMBL2179656

SCHEMBL2179656

Brc1cc(Br)cc(N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
MAOA P21397 1/20 0.45
BCHE P06276 7/20 0.44
SLC6A3 Q01959 1/20 0.44
HPGD P15428 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ACHE P22303 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL30560697 1.00 HDAC6 (0.49) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL12349411 0.96 HDAC6 (0.49) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL29267946 0.88 HDAC6 (0.43) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL12190857 0.86 MAOA (0.54) HDAC6MAOABCHENOX1ACHE
SCHEMBL2182891 0.85 BCHE (0.53) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL31658945 0.83 HDAC6 (0.40) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL1022593 0.82 HDAC6 (0.58) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL29375652 0.82 HDAC6 (0.58) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL12333552 0.81 MAOA (0.45) HDAC6MAOABCHESLC6A3HPGD
SCHEMBL29824798 0.81 MAOA (0.45) HDAC6MAOABCHESLC6A3HPGD

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
CN-116715594-B Star-shaped micromolecule crosslinked hole transport material and preparation method and application thereof 天津大学 2023-12-15 CN disclosed
CN-116715594-A Star-shaped micromolecule crosslinked hole transport material and preparation method and application thereof 天津大学 2023-09-08 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 (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-20130009136-A1 TRIPHENYLENE-BASED COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME TRMT1L, SLC19A2, RPS19 HDAC6 4834/4885MAOA 1965/4885BCHE 4062/4885

“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.