SCHEMBL1822005

SCHEMBL1822005

CC(=O)CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 4/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10394883 0.99 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL9395064 0.99 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL6885101 0.99 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL9116970 0.99 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL9394689 0.99 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL9298051 0.88 ALDH1A1 (0.47) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL5093687 0.87 HPGD (0.54) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL8002917 0.86 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTMAPK1GAA
SCHEMBL7745866 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EMAPK1GAAL3MBTL1
SCHEMBL9392009 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1GAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016004212-A1 HYDROGELS FOR TREATING AND AMELIORATING WOUNDS AND METHODS FOR MAKING AND USING THEM VICUS THERAPEUTICS, LLC (US) 2016-01-07 WO claimed
EP-2490702-A1 TREATMENT USING REPROGRAMMED MATURE ADULT CELLS Tristem Trading (Cyprus) Limited (CY) 2012-08-29 EP claimed
EP-2259844-A1 COMPOSITIONS AND METHODS FOR MUCOSITIS AND ONCOLOGY THERAPIES Vicus Therapeutics SPE 1, LLC (US) 2010-12-15 EP claimed
WO-2009111648-A1 COMPOSITIONS AND METHODS FOR MUCOSITIS AND ONCOLOGY THERAPIES VICUS THERAPEUTICS, LLC (US) 2009-09-11 WO claimed
WO-2009097095-A2 METHODS FOR TREATING HEMATOPOIETIC MALIGNANCIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-06 WO claimed
WO-2008033754-A2 XANTHINE DERIVATIVES IN METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR DEPRESSION DUKE UNIVERSITY (US) 2008-03-20 WO claimed
WO-2001032156-A2 METHODS FOR TREATING FIBROPROLIFERATIVE DISEASES DALHOUSIE UNIVERSITY (CA) 2001-05-10 WO claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
WO-1992007585-A1 THE USE OF ANTIBODIES TO TNF OR FRAGMENTS DERIVED THEREOF AND XANTHINE DERIVATIVES FOR COMBINATION THERAPY AND COMPOSITIONS THEREFOR CELLTECH LIMITED (GB) 1992-05-14 WO claimed
JP-55122779-A None JP disclosed
WO-2023283631-A2 METHODS FOR DIFFERENTIATING AND SCREENING STEM CELLS THE BROAD INSTITUTE, INC. (US) 2023-01-12 WO disclosed
EP-3638244-A1 PHARMACEUTICAL FORMULATIONS OF XANTHINE OR XANTHINE DERIVATIVES, AND THEIR USE Harrow IP, LLC (US) 2020-04-22 EP disclosed
WO-2020069005-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OR TREATMENT OF CYTOKINE RELEASE SYNDROME HARROW HEALTH, INC. (US) 2020-04-02 WO disclosed
EP-3472190-A1 FIBRONECTIN-BINDING PEPTIDES FOR USE IN TUMOR OR FIBROSIS DIAGNOSIS AND THERAPY ETH Zurich (CH) 2019-04-24 EP disclosed
WO-1993017684-A2 ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS CELL THERAPEUTICS, INC. (US) 1993-09-16 WO disclosed
WO-1992007585-A1 THE USE OF ANTIBODIES TO TNF OR FRAGMENTS DERIVED THEREOF AND XANTHINE DERIVATIVES FOR COMBINATION THERAPY AND COMPOSITIONS THEREFOR CELLTECH LIMITED (GB) 1992-05-14 WO disclosed
EP-0252487-B1 PACKAGE CONTAINING DRUG COMBINATIONS FOR SUCCESSIVE ADMINISTRATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-08 EP disclosed
EP-0252487-A2 Package containing drug combinations for successive administration HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 EP disclosed
EP-0157098-A1 Xanthine derivatives, pharmaceuticals compositions containing them and a process for their preparation Beecham Wuelfing GmbH & Co KG (DE) 1985-10-09 EP disclosed
JP-S55122779-A PREPARATION OF THEOBROMINE DERIVATIVE MARUKO SEIYAKU KK 1980-09-20 JP disclosed