SCHEMBL621841

SCHEMBL621841

C#CCN(C)CCc1cc(C)c(O)c2ncccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.69
MAOB P27338 6/20 0.69
ACHE P22303 3/20 0.56
BACE1 P56817 1/20 0.56
BCHE P06276 1/20 0.46
CTSB P07858 1/20 0.41
COMT P21964 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
CHEK1 O14757 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL621766 0.88 MAOA (0.69) MAOAMAOBACHEBACE1BCHE
SCHEMBL621526 0.88 MAOA (0.68) MAOAMAOBACHEBACE1BCHE
Hydrochloric Acid SCHEMBL621832 0.87 MAOA (0.68) MAOAMAOBACHEBACE1BCHE
SCHEMBL10156577 0.84 MAOB (0.60) MAOAMAOBACHEBACE1BCHE
SCHEMBL623114 0.84 MAOA (0.63) MAOAMAOBACHEBACE1BCHE
SCHEMBL620669 0.82 MAOA (1.00) MAOAMAOBACHEBACE1BCHE
Hydrochloric Acid SCHEMBL621934 0.81 MAOA (0.98) MAOAMAOBACHEBACE1BCHE
Hydrochloric Acid SCHEMBL620552 0.81 MAOA (0.98) MAOAMAOBACHEBACE1BCHE
SCHEMBL620567 0.76 MAOA (0.68) MAOAMAOBACHEBACE1BCHE
SCHEMBL626003 0.75 MAOB (0.78) MAOAMAOBACHEBACE1BCHE

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
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-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-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-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2014-07-03 US disclosed
US-20130330284-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2013-12-12 US disclosed
CN-103298790-A Iron chelator and monoamine oxidase inhibitor with neuroprotective and neurorestorative effects and uses thereof VARINEL INC 2013-09-11 CN disclosed
EP-2603492-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF Varinel Inc. (US) 2013-06-19 EP 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
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 (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-20140186280-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF MAOA, MAOB, FECH MAOA 1/4885MAOB 2/4885ACHE 24/4885
US-20130330284-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF MAOA, MAOB, FECH MAOA 1/4885MAOB 2/4885ACHE 24/4885

“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.