SCHEMBL10157045

SCHEMBL10157045

O=C(CCl)c1ccc(O)c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.67
L3MBTL1 Q9Y468 7/20 0.67
KDM4A O75164 3/20 0.67
KDM4C Q9H3R0 2/20 0.67
EGLN1 Q9GZT9 2/20 0.67
KDM6B O15054 1/20 0.67
KDM6A O15550 1/20 0.67
TET3 O43151 1/20 0.67
KDM4B O94953 1/20 0.67
KDM5C P41229 1/20 0.67
KDM4D Q6B0I6 1/20 0.67
TET2 Q6N021 1/20 0.67
ALKBH5 Q6P6C2 1/20 0.67
TET1 Q8NFU7 1/20 0.67
FTO Q9C0B1 1/20 0.67
KDM2A Q9Y2K7 1/20 0.67
KDM3A Q9Y4C1 1/20 0.67
COMT P21964 3/20 0.56
HSP90AA1 P07900 3/20 0.54
LMNA P02545 2/20 0.54

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
SCHEMBL15170803 0.88 KDM4E (0.63) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL2839557 0.84 KDM4E (0.67) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL27468637 0.82 KDM4E (0.77) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL29349767 0.80 KDM4E (1.00) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL6068195 0.80 KDM4E (1.00) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL7646199 0.79 KDM4E (1.00) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL163474 0.79 KDM4E (0.73) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL29462403 0.79 KDM4E (0.73) KDM4EL3MBTL1KDM4AKDM4CEGLN1
SCHEMBL7956981 0.79 KDM4E (0.66) KDM4EL3MBTL1KDM4AKDM4CEGLN1
Hydrochloric Acid SCHEMBL7650578 0.78 KDM4E (0.97) KDM4EL3MBTL1KDM4AKDM4CEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034303-B2 Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof ZURAWSKI JR VINCENT R (US) 2015-05-19 US disclosed
US-9034303-B2 Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof ZURAWSKI JR VINCENT R (US) 2015-05-19 US disclosed
US-20150025085-A1 Iron Chelators And Uses Thereof VARINEL INC (US) 2015-01-22 US disclosed
US-20150025085-A1 Iron Chelators And Uses Thereof VARINEL INC (US) 2015-01-22 US disclosed
US-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2014-07-03 US disclosed
US-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2014-07-03 US disclosed
US-20130310346-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTIONS WITH IRON CHELATORS GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2013-11-21 US disclosed
WO-2013114296-A1 IRON CHELATORS AND USES THEREOF VARINEL INC. (US) 2013-08-08 WO disclosed
WO-2013115793-A1 IRON CHELATORS AND USES THEREOF VARINEL, INC. (US) 2013-08-08 WO disclosed
WO-2012020389-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2012-02-16 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 (3 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-20130310346-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTIONS WITH IRON CHELATORS FTH1, TFRC, HAMP KDM4E 979/4885L3MBTL1 1883/4885KDM4A 667/4885
US-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF MAOA, MAOB, FECH KDM4E 183/4885L3MBTL1 1725/4885KDM4A 223/4885
US-20150025085-A1 Iron Chelators And Uses Thereof FECH, HDAC8, COQ8A KDM4E 104/4885L3MBTL1 911/4885KDM4A 241/4885

“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.