SCHEMBL147299

SCHEMBL147299

Oc1ccc(CN2CCNCC2)c2cccnc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.75
MAPT P10636 8/20 0.75
L3MBTL1 Q9Y468 6/20 0.75
NFKB1 P19838 4/20 0.75
NFKB2 Q00653 4/20 0.75
RELA Q04206 4/20 0.75
LMNA P02545 4/20 0.75
GAA P10253 4/20 0.75
ALOX12 P18054 4/20 0.75
TP53 P04637 3/20 0.75
ALDH1A1 P00352 3/20 0.75
BRD4 O60885 3/20 0.75
USP2 O75604 1/20 0.70
ALOX15 P16050 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 4/20 0.62
TDP1 Q9NUW8 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
OPRK1 P41145 1/20 0.62
KMT2A Q03164 4/20 0.61

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
Hydrochloric Acid SCHEMBL5594440 0.99 KDM4E (0.73) KDM4EMAPTL3MBTL1NFKB1NFKB2
Hydrochloric Acid SCHEMBL5594444 0.99 KDM4E (0.73) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2516017 0.94 KDM4E (0.74) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2518679 0.93 KDM4E (0.73) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2518179 0.90 KDM4E (0.86) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2525052 0.90 KDM4E (0.76) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2516009 0.89 KDM4E (0.67) KDM4EMAPTL3MBTL1NFKB1NFKB2
Hydrochloric Acid SCHEMBL5594620 0.88 KDM4E (0.83) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL24716091 0.87 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL30626619 0.87 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2

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 11 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
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
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

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 3494/4885MAPT 741/4885L3MBTL1 908/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 KDM4E 3557/4885MAPT 684/4885L3MBTL1 1041/4885

“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.