SCHEMBL5215516

SCHEMBL5215516

Cl[C](Cl)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
ALDH1A1 P00352 3/20 0.54
FFAR1 O14842 2/20 0.54
TDP1 Q9NUW8 3/20 0.52
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8379853 0.85 HDAC1 (0.61) KEAP1TDP1HDAC2HDAC8HDAC6
SCHEMBL28435620 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL12195215 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL1602027 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL5864 0.80 KEAP1 (0.67) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL23406423 0.80 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL28338568 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL2240494 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL8665089 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2
SCHEMBL4141193 0.78 KEAP1 (0.64) KEAP1ALDH1A1FFAR1TDP1HDAC2

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
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
EP-0193065-B1 Morpholine derivatives, processes for their production and their use as fungicides BASF AG (DE) 1995-08-23 EP disclosed
US-5376684-A Aminobutyric acid antagonist; antiepileptic agent CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
EP-0224163-B1 PROPYL AMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4967003-A Propylamines, and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4758564-A Ether and thioether amines and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4732989-A INTERMEDIATES FOR BACTERICIDES G. D. SEARLE & CO. (US) 1988-03-22 US disclosed
EP-0224163-A2 Propyl amines, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1987-06-03 EP disclosed
US-4661602-A ANTIANAEROBIC AGENTS G. D. SEARLE & CO. (US) 1987-04-28 US disclosed
EP-0193065-A1 Morpholine derivatives, processes for their production and their use as fungicides BASF Aktiengesellschaft (DE) 1986-09-03 EP 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 (3 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 KEAP1 828/4885ALDH1A1 704/4885FFAR1 793/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KEAP1 465/4885ALDH1A1 132/4885FFAR1 573/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 KEAP1 465/4885ALDH1A1 132/4885FFAR1 573/4885

“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.