SCHEMBL712954

SCHEMBL712954

[c]1ccc(N2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
MAOA P21397 1/20 0.48
BCHE P06276 8/20 0.44
ACHE P22303 4/20 0.41
NOX1 Q9Y5S8 2/20 0.41
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
KDM1A O60341 1/20 0.38
PIM1 P11309 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 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
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 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
SCHEMBL12190901 0.87 HDAC6 (0.62) HDAC6MAOABCHEACHENOX1
SCHEMBL29851224 0.87 HDAC6 (0.62) HDAC6MAOABCHEACHENOX1
SCHEMBL342426 0.85 HDAC6 (0.56) HDAC6MAOABCHEACHENOX1
SCHEMBL29387100 0.85 HDAC6 (0.56) HDAC6MAOABCHEACHENOX1
SCHEMBL9776392 0.83 HDAC6 (0.45) HDAC6MAOABCHEACHENOX1
SCHEMBL21409893 0.83 HDAC6 (0.45) HDAC6MAOABCHEACHENOX1
SCHEMBL15470447 0.81 HDAC6 (0.57) HDAC6MAOABCHEACHENOX1
SCHEMBL12190857 0.80 MAOA (0.54) HDAC6MAOABCHEACHENOX1
SCHEMBL714492 0.78 ALDH1A1 (0.42) BCHEMEN1KMT2AADRA2AADRA2B
SCHEMBL21915333 0.78 HDAC6 (0.58) HDAC6MAOABCHEACHENOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9660199-B2 Compound, light-emitting material, and organic light-emitting device KYULUX, INC. (JP) 2017-05-23 US claimed
US-20150041784-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE KYULUX, INC. (JP) 2015-02-12 US claimed
CN-113501817-A Quinolinone derivative containing arylamine group and preparation and application thereof 广东工业大学 2021-10-15 CN disclosed
CN-110117283-B N heterocyclic benzophenone derivative containing hydrogenated phenothiazine group and preparation method thereof 广东工业大学 2021-06-15 CN disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
US-9620723-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-04-11 US disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
US-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-09 US disclosed
US-8343639-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-01 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 US disclosed
EP-2321862-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME Semiconductor Energy Laboratory Co, Ltd. (JP) 2011-05-18 EP disclosed
WO-2010027004-A1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-11 WO disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 US disclosed
US-6617053-B2 High luminous efficiency and a long life CHISSO CORPORATION (JP) 2003-09-09 US disclosed
US-20020027415-A1 Organic electroluminescent device containing dithiafulvene derivative CHISSO CORPORATION (JP) 2002-03-07 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 (5 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-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A HDAC6 1583/4885MAOA 492/4885BCHE 3940/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HDAC6 1583/4885MAOA 492/4885BCHE 3940/4885
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HDAC6 1583/4885MAOA 492/4885BCHE 3940/4885
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 HDAC6 1312/4885MAOA 503/4885BCHE 2128/4885
US-20130112961-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A HDAC6 1583/4885MAOA 492/4885BCHE 3940/4885

“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.