SCHEMBL5594397

SCHEMBL5594397

CC(C)(C)OC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
KDM4E B2RXH2 5/20 0.77
L3MBTL1 Q9Y468 4/20 0.77
KMT2A Q03164 4/20 0.77
ALDH1A1 P00352 3/20 0.77
MPI P34949 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
APP P05067 11/20 0.60
NFKB1 P19838 4/20 0.60
NFKB2 Q00653 4/20 0.60
RELA Q04206 4/20 0.60
TP53 P04637 3/20 0.60
ALOX12 P18054 3/20 0.60
LMNA P02545 3/20 0.60
BRD4 O60885 1/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HTT P42858 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60

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
SCHEMBL2521161 0.96 MAPT (0.71) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL2518215 0.96 MAPT (0.71) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL2518129 0.95 MAPT (0.69) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL2523698 0.90 MAPT (0.63) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL113821 0.87 MAPT (1.00) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL2518179 0.82 KDM4E (0.86) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL27190069 0.81 MAPT (0.69) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL3709871 0.81 FAAH (0.60) MAPTKDM4EL3MBTL1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5594620 0.81 KDM4E (0.83) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL14850699 0.81 MAPT (0.56) MAPTKDM4EL3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP claimed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US claimed
US-6849650-B2 Heterocyclic compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2005-02-01 US claimed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP claimed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO claimed
CN-118059101-A Use of 8-hydroxyquinoline derivatives 江苏亚虹医药科技股份有限公司 2024-05-24 CN disclosed
CN-117043141-A 7-nitro-8-hydroxyquinoline derivative, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-11-10 CN disclosed
WO-2022253152-A1 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2022-12-08 WO disclosed
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP disclosed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US disclosed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP disclosed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO disclosed