SCHEMBL5795307

SCHEMBL5795307

CC(C)(C)c1ccc(N2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
MAOA P21397 1/20 0.47
BCHE P06276 9/20 0.41
NOX1 Q9Y5S8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ACHE P22303 2/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL5796838 0.92 HDAC6 (0.48) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL5798501 0.89 HDAC6 (0.46) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL17278630 0.88 HDAC6 (0.48) HDAC6MAOABCHECYP3A4CYP2D6
SCHEMBL13889525 0.88 HDAC6 (0.45) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL5795297 0.87 HDAC6 (0.47) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL19862774 0.85 HDAC6 (0.44) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL12190901 0.84 HDAC6 (0.62) HDAC6MAOABCHENOX1PTGS1
SCHEMBL29851224 0.84 HDAC6 (0.62) HDAC6MAOABCHENOX1PTGS1
SCHEMBL5812002 0.84 HDAC6 (0.44) HDAC6MAOABCHENOX1CYP3A4
SCHEMBL19888136 0.83 NOX1 (0.59) HDAC6BCHENOX1CYP2D6PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-16 US disclosed
US-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-08 US disclosed
US-11050026-B2 Spiro compound and organic light-emitting element comprising same LG CHEM, LTD. 2021-06-29 US disclosed
US-20210167304-A1 NEW EMITTER MATERIALS AND MATRIX MATERIALS FOR OPTOELECTRONIC AND ELECTRONIC COMPONENTS, IN PARTICULAR ORGANIC LIGHT-EMITTING DIODES (OLEDS) Technische Universität Dresden (DE) 2021-06-03 US disclosed
US-10981876-B2 Spiro compound and organic light emitting element comprising same LG CHEM, LTD. 2021-04-20 US disclosed
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same LG CHEM, LTD. 2021-04-06 US disclosed
WO-2020062375-A1 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉尚赛光电科技有限公司 2020-04-02 WO disclosed
US-10444588-B2 Electrochromic element, optical filter, lens unit, imaging apparatus, and window member CANON KABUSHIKI KAISHA (JP) 2019-10-15 US disclosed
EP-3398218-A1 NEW EMITTER MATERIALS AND MATRIX MATERIALS FOR OPTOELECTRONIC AND ELECTRONIC COMPONENTS, IN PARTICULAR ORGANIC LIGHT-EMITTING DIODES (OLEDS) Technische Universität Dresden (DE) 2018-11-07 EP disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-06-21 US disclosed
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180052375-A1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING APPARATUS, AND WINDOW MEMBER CANON KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20180052375-A1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING APPARATUS, AND WINDOW MEMBER CANON KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
WO-2017114857-A1 NEW EMITTER MATERIALS AND MATRIX MATERIALS FOR OPTOELECTRONIC AND ELECTRONIC COMPONENTS, IN PARTICULAR ORGANIC LIGHT-EMITTING DIODES (OLEDS) Technische Universität Dresden (DE) 2017-07-06 WO disclosed
WO-2006041263-A1 CHROMOPHORE COMPOUNDS AND ORGANIC ELECTROLUMINESCENC DISPLAY DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2006-04-20 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 (10 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-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NPY1R, NPY2R, KISS1R HDAC6 3208/4885MAOA 3073/4885BCHE 4738/4885
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 HDAC6 3140/4885MAOA 805/4885BCHE 2872/4885
US-20180175304-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HDAC6 1998/4885MAOA 3509/4885BCHE 4786/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 HDAC6 4881/4885MAOA 974/4885BCHE 1429/4885
US-20180083198-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME NR2E3, CRY1, ERG HDAC6 1998/4885MAOA 3509/4885BCHE 4786/4885
US-10968230-B2 Spiro-structured compound and organic electronic device comprising same ESR1, OR10J3, ERG HDAC6 1882/4885MAOA 2539/4885BCHE 4064/4885
US-10981876-B2 Spiro compound and organic light emitting element comprising same RER1, RIF1, CRY1 HDAC6 2290/4885MAOA 3795/4885BCHE 4858/4885
US-11050026-B2 Spiro compound and organic light-emitting element comprising same NR2E3, CRY1, ERG HDAC6 1998/4885MAOA 3509/4885BCHE 4786/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 HDAC6 4881/4885MAOA 974/4885BCHE 1429/4885
US-20210167304-A1 NEW EMITTER MATERIALS AND MATRIX MATERIALS FOR OPTOELECTRONIC AND ELECTRONIC COMPONENTS, IN PARTICULAR ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, OSTC HDAC6 1917/4885MAOA 911/4885BCHE 4351/4885

“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.