SCHEMBL4403136

SCHEMBL4403136

CC(=O)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.68
NR1H4 Q96RI1 12/20 0.68
HDAC6 Q9UBN7 2/20 0.63
HDAC3 O15379 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
HDAC1 Q13547 1/20 0.61
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.60
NPC1 O15118 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL25153485 0.87 HDAC1 (0.59) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL3420620 0.86 EPHX2 (0.65) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL12133623 0.85 KMT2A (0.76) HDAC6HDAC3HDAC8KMT2AMEN1
SCHEMBL5988091 0.85 HDAC1 (0.57) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL4618832 0.85 EPHX2 (0.68) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL249685 0.84 EPHX2 (0.62) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL12188869 0.84 HDAC1 (0.56) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL5986990 0.84 KMT2A (0.59) EPHX2NR1H4HDAC6HDAC3HDAC8
SCHEMBL2629356 0.83 LSS (0.59) EPHX2HDAC6HDAC3HDAC8KMT2A
SCHEMBL4881592 0.83 EPHX2 (0.61) EPHX2NR1H4HDAC6HDAC3HDAC8

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036718-A ALK5 inhibitor and preparation method and application thereof 安炎达医药技术(广州)有限公司 2026-05-15 CN disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER SERVICIO ANDALUZ DE SALUD (ES) 2022-05-12 US disclosed
EP-3834888-A2 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER Servicio Andaluz De Salud (ES) 2021-06-16 EP disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
WO-2020030843-A2 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER SERVICIO ANDALUZ DE SALUD (ES) 2020-02-13 WO disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 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 (11 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B EPHX2 4602/4885NR1H4 4452/4885HDAC6 333/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR EPHX2 3853/4885NR1H4 563/4885HDAC6 3580/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 EPHX2 1380/4885NR1H4 726/4885HDAC6 4510/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 EPHX2 4362/4885NR1H4 4809/4885HDAC6 1953/4885
US-20220142985-A1 AGENTS FOR TREATMENT OF ALCOHOL USE DISORDER ADH1A, ADH5, ADH1C EPHX2 941/4885NR1H4 26/4885HDAC6 471/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS EPHX2 584/4885NR1H4 2427/4885HDAC6 538/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 EPHX2 2028/4885NR1H4 90/4885HDAC6 1621/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 EPHX2 3869/4885NR1H4 2592/4885HDAC6 170/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 EPHX2 941/4885NR1H4 2919/4885HDAC6 2149/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EPHX2 2028/4885NR1H4 90/4885HDAC6 1621/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 EPHX2 2568/4885NR1H4 85/4885HDAC6 1667/4885

“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.