SCHEMBL113806

SCHEMBL113806

C#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.81
KDM4E B2RXH2 9/20 0.70
MAPT P10636 8/20 0.70
L3MBTL1 Q9Y468 6/20 0.70
NFKB1 P19838 4/20 0.70
NFKB2 Q00653 4/20 0.70
RELA Q04206 4/20 0.70
ALOX12 P18054 4/20 0.70
LMNA P02545 4/20 0.70
GAA P10253 4/20 0.70
TP53 P04637 3/20 0.70
ALDH1A1 P00352 3/20 0.70
BRD4 O60885 1/20 0.70
USP2 O75604 1/20 0.69
ALOX15 P16050 1/20 0.69
KMT2A Q03164 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
MPI P34949 2/20 0.63
SMN1; SMN2 Q16637 5/20 0.58
HTT P42858 4/20 0.58

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
SCHEMBL29366875 1.00 MAOB (0.81) MAOBKDM4EMAPTL3MBTL1NFKB1
SCHEMBL2518179 0.89 KDM4E (0.86) MAOBKDM4EMAPTL3MBTL1NFKB1
Hydrochloric Acid SCHEMBL5594620 0.88 KDM4E (0.83) MAOBKDM4EMAPTL3MBTL1NFKB1
SCHEMBL5594566 0.85 KDM4E (0.89) MAOBKDM4EMAPTL3MBTL1NFKB1
SCHEMBL24716091 0.84 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL30626619 0.84 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5595451 0.83 KDM4E (0.75) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL13310328 0.83 KDM4E (0.75) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5595007 0.83 KDM4E (0.78) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL113982 0.83 MAPT (0.60) MAOBKDM4EMAPTL3MBTL1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383415-B1 USE OF MITOCHONDRIAL IRON CHELATORS FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE UNIV CORNELL (US) 2021-03-31 EP disclosed
US-10905682-B2 Use of mitochondrial iron chelators for treatment of chronic obstructive pulmonary disease CORNELL UNIVERSITY (US) 2021-02-02 US disclosed
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS NYSNOBIO IRELAND DAC (IE) 2020-03-19 US disclosed
US-20180360815-A1 USE OF MITOCHONDRIAL IRON CHELATORS FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-12-20 US disclosed
US-10155936-B2 Parkin ligase activation methods and compositions An2H Discovery Limited (IE) 2018-12-18 US disclosed
EP-3383415-A1 USE OF MITOCHONDRIAL IRON CHELATORS FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE Cornell University (US) 2018-10-10 EP disclosed
WO-2017096013-A1 USE OF MITOCHONDRIAL IRON CHELATORS FOR TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE CORNELL UNIVERSITY (US) 2017-06-08 WO disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 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
US-8058442-B2 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2011-11-15 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
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 WO disclosed
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-10-19 US disclosed
US-20050191348-A1 Use of propargylamine as neuroprotective agent TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-09-01 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
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 (5 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-10155936-B2 Parkin ligase activation methods and compositions PINK1, XIAP, STUB1 MAOB 1584/4885KDM4E 2210/4885MAPT 1156/4885
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A MAOB 12/4885KDM4E 3218/4885MAPT 1195/4885
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 MAOB 1584/4885KDM4E 2210/4885MAPT 1156/4885
US-20060234927-A1 Neuroprotective iron chelators and pharmaceutical compositions comprising them FECH, HMOX1, FTH1 MAOB 1223/4885KDM4E 3557/4885MAPT 684/4885
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 MAOB 1584/4885KDM4E 2210/4885MAPT 1156/4885

“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.