SCHEMBL10156577

SCHEMBL10156577

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
MAOA P21397 7/20 0.60
ACHE P22303 4/20 0.48
BACE1 P56817 1/20 0.48
BCHE P06276 1/20 0.44
PYCR1 P32322 3/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL621841 0.84 MAOA (0.69) MAOBMAOAACHEBACE1BCHE
SCHEMBL626003 0.81 MAOB (0.78) MAOBMAOAACHEBACE1BCHE
SCHEMBL621766 0.77 MAOA (0.69) MAOBMAOAACHEBACE1BCHE
Hydrochloric Acid SCHEMBL621832 0.76 MAOA (0.68) MAOBMAOAACHEBACE1BCHE
SCHEMBL620669 0.75 MAOA (1.00) MAOBMAOAACHEBACE1BCHE
SCHEMBL10156580 0.75 RAD52 (0.40) KDM4ENPC1ALOX12HTTRAB9A
Hydrochloric Acid SCHEMBL620552 0.74 MAOA (0.98) MAOBMAOAACHEBACE1BCHE
Hydrochloric Acid SCHEMBL621934 0.74 MAOA (0.98) MAOBMAOAACHEBACE1BCHE
SCHEMBL15854521 0.74 MAOA (0.51) MAOBMAOAACHEBACE1BCHE
SCHEMBL623114 0.73 MAOA (0.63) MAOBMAOAACHEBACE1BCHE

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 5 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-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
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 (1 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 MAOB 2/4885MAOA 1/4885ACHE 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.