SCHEMBL12190894

SCHEMBL12190894

c1cc(N2c3ccccc3Sc3ccccc32)cc(N2c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
BCHE P06276 8/20 0.45
ACHE P22303 3/20 0.42
NOX1 Q9Y5S8 2/20 0.42
MEN1 O00255 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SLC6A3 Q01959 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
SCHEMBL12190857 0.91 MAOA (0.54) MAOAHDAC6BCHEACHENOX1
SCHEMBL20383142 0.90 FAAH (0.46) MAOAHDAC6BCHEACHENOX1
SCHEMBL11060277 0.87 HDAC6 (0.46) MAOAHDAC6BCHEACHENOX1
SCHEMBL2182891 0.87 BCHE (0.53) MAOAHDAC6BCHEACHENOX1
SCHEMBL16945822 0.87 BCHE (0.53) MAOAHDAC6BCHENOX1MEN1
SCHEMBL19151933 0.87 MEN1 (0.51) MAOAHDAC6BCHEACHENOX1
SCHEMBL29387100 0.86 HDAC6 (0.56) MAOAHDAC6BCHEACHENOX1
SCHEMBL342426 0.86 HDAC6 (0.56) MAOAHDAC6BCHEACHENOX1
SCHEMBL19317090 0.86 NR1H3 (0.50) HDAC6BCHEMEN1KMT2A
SCHEMBL12190901 0.84 HDAC6 (0.62) MAOAHDAC6BCHEACHENOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-05 US disclosed
US-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-05 US disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-1817806-B1 PHENOTHAZINES-S-OXIDES AND S,S-DIOXIDES AS hole and excitonblockers for OLEDs BASF SE (DE) 2014-07-30 EP disclosed
US-8029919-B2 Phenothiazines, S-oxides, and S,S-dioxides as well as phenoxazines as emitters for OLEDs BASF AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-8029919-B2 Phenothiazines, S-oxides, and S,S-dioxides as well as phenoxazines as emitters for OLEDs BASF AKTIENGESELLSCHAFT (DE) 2011-10-04 US disclosed
US-20100308714-A1 Phenothiazines, S-Oxides, And S,S-Dioxides As Well As Phenoxazines As Emitters For Oleds BASF AKTIENGESELLSCHAFT (DE) 2010-12-09 US disclosed
US-20100308714-A1 Phenothiazines, S-Oxides, And S,S-Dioxides As Well As Phenoxazines As Emitters For Oleds BASF AKTIENGESELLSCHAFT (DE) 2010-12-09 US disclosed
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 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-20180097181-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, PIEZO1, ETV6 MAOA 1701/4885HDAC6 2774/4885BCHE 3723/4885
US-20100308714-A1 Phenothiazines, S-Oxides, And S,S-Dioxides As Well As Phenoxazines As Emitters For Oleds PPOX, SMOX, SORD MAOA 82/4885HDAC6 2567/4885BCHE 3606/4885

“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.