SCHEMBL113820

SCHEMBL113820

OCCN1CCN(Cc2ccc(O)c3ncccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
MAPT P10636 9/20 0.73
L3MBTL1 Q9Y468 6/20 0.73
LMNA P02545 5/20 0.73
NFKB1 P19838 4/20 0.73
NFKB2 Q00653 4/20 0.73
RELA Q04206 4/20 0.73
ALDH1A1 P00352 4/20 0.73
GAA P10253 4/20 0.73
ALOX12 P18054 4/20 0.73
TP53 P04637 3/20 0.73
BRD4 O60885 2/20 0.73
USP2 O75604 1/20 0.72
ALOX15 P16050 1/20 0.72
SMN1; SMN2 Q16637 6/20 0.65
HTT P42858 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
MPI P34949 3/20 0.65
KMT2A Q03164 4/20 0.62
RAD52 P43351 1/20 0.62

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
SCHEMBL29381869 1.00 KDM4E (0.73) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL2518179 0.92 KDM4E (0.86) KDM4EMAPTL3MBTL1LMNANFKB1
Hydrochloric Acid SCHEMBL5594620 0.90 KDM4E (0.83) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL15170884 0.89 KDM4E (0.61) KDM4EMAPTL3MBTL1LMNANFKB1
Hydrochloric Acid SCHEMBL15155560 0.88 KDM4E (0.60) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL5595007 0.88 KDM4E (0.78) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL5594566 0.87 KDM4E (0.89) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL15170856 0.87 KDM4E (0.58) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL24716091 0.86 KDM4E (0.97) KDM4EMAPTL3MBTL1LMNANFKB1
SCHEMBL30626619 0.86 KDM4E (0.97) KDM4EMAPTL3MBTL1LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064858-B2 Methods and compositions for treating bacterial infections with iron chelators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2018-09-04 US claimed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US claimed
JP-4757024-B2 2011-08-24 JP claimed
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-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 US claimed
EP-1565185-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-24 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
WO-2004041151-A2 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2004-05-21 WO 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-12226754-B2 Method to produce high densities of isolated atoms on support substrates UNIVERSITY OF SOUTH CAROLINA (US) 2025-02-18 US disclosed
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-10-31 US disclosed
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 US disclosed
US-20240058288-A1 DRUG COCKTAIL FOR TREATMENT OF PARKINSON'S DISEASE, LEWY BODY DISEASE AND MULTIPLE SYSTEM ATROPHY ALETA NEUROSCIENCE LLC (US) 2024-02-22 US 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-20050148031-A1 Catalytic efficiency and/or specificity of non-native substrates of enzymes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-07 US 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 (7 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-10064858-B2 Methods and compositions for treating bacterial infections with iron chelators FTH1, TFRC, HAMP KDM4E 979/4885MAPT 4001/4885L3MBTL1 1883/4885
US-20240058288-A1 DRUG COCKTAIL FOR TREATMENT OF PARKINSON'S DISEASE, LEWY BODY DISEASE AND MULTIPLE SYSTEM ATROPHY BAG3, BAG2, PHB1 KDM4E 1724/4885MAPT 240/4885L3MBTL1 1563/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 KDM4E 3557/4885MAPT 684/4885L3MBTL1 1041/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB KDM4E 4499/4885MAPT 2438/4885L3MBTL1 2419/4885
US-20240358634-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 KDM4E 4174/4885MAPT 2171/4885L3MBTL1 4788/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 KDM4E 4174/4885MAPT 2171/4885L3MBTL1 4788/4885

“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.