SCHEMBL3394436

SCHEMBL3394436

ClCCCCSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 2/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C19 P33261 4/20 0.46
GRIN2A Q12879 1/20 0.42

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
SCHEMBL5661129 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5660852 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL955977 0.93 ALDH1A1 (0.64) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL420011 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5167895 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL5169003 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL123612 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL1931125 0.83 ALDH1A1 (0.78) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL9770300 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL10917708 0.80 KDM4E (0.53) ALDH1A1MAPK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143009-B1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2019-09-18 EP disclosed
EP-3143009-B1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2019-09-18 EP disclosed
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
EP-3143009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS Fondazione Istituto Italiano di Tecnologia (IT) 2017-03-22 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
WO-2015173169-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-11-19 WO disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
EP-0501693-B1 Isoquinoline derivatives BANYU PHARMA CO LTD (JP) 1996-08-28 EP disclosed
EP-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5362736-A Alkoxy derivatives for cardiovascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-11-08 US disclosed
EP-0501693-A1 Isoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-09-02 EP disclosed
US-5140026-A N-aminoalkyl-S-aryl-S-alkyl (or substituted alkyl) sulfoximines as antiarrhythmic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-18 US disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B ALDH1A1 2771/4885MAPK1 2708/4885HDAC3 696/4885
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 ALDH1A1 915/4885MAPK1 2752/4885HDAC3 174/4885

“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.