SCHEMBL145244

SCHEMBL145244

[CH2]c1ccc(O)c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
HSP90AA1 P07900 4/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
MAPT P10636 3/20 0.61
IDO1 P14902 3/20 0.61
BRD4 O60885 2/20 0.61
METAP2 P50579 2/20 0.61
MPI P34949 1/20 0.61
METAP1 P53582 1/20 0.61
HSP90AB1 P08238 1/20 0.61
PSMB5 P28074 1/20 0.61
SLC6A2 P23975 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 2/20 0.56
FTO Q9C0B1 2/20 0.56

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
SCHEMBL1920452 0.83 KDM4E (0.70) KDM4EL3MBTL1HSP90AA1LMNAHTT
Methane SCHEMBL27551425 0.81 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL27816447 0.81 KDM4E (0.68) KDM4EL3MBTL1HSP90AA1LMNAHTT
Methane SCHEMBL28088738 0.79 KDM4E (0.66) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL31481274 0.79 KDM4E (0.74) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL14618449 0.77 KDM4E (0.67) KDM4EL3MBTL1HSP90AA1LMNAHTT
Cloxyquin SCHEMBL115838 0.76 KDM4E (1.00) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL12600031 0.76 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL7694506 0.76 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT
SCHEMBL141380 0.76 KDM4E (0.61) KDM4EL3MBTL1HSP90AA1LMNAHTT

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 13 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
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
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
CN-102300847-A PPAR agonist compositions and methods of use thereof 2011-12-28 CN disclosed
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 US 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-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 US disclosed
EP-1565185-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-24 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
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 WO 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

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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 KDM4E 3494/4885L3MBTL1 908/4885HSP90AA1 170/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 KDM4E 3557/4885L3MBTL1 1041/4885HSP90AA1 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.