SCHEMBL621285

SCHEMBL621285

C#CCN(C)CCCc1ccc(O)c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 1.00
MAOB P27338 5/20 1.00
ACHE P22303 2/20 0.74
BACE1 P56817 1/20 0.74
KDM4E B2RXH2 6/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BCHE P06276 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PAX8 Q06710 1/20 0.46

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
Hydrochloric Acid SCHEMBL621870 0.99 MAOA (0.98) MAOAMAOBACHEBACE1KDM4E
Hydrochloric Acid SCHEMBL623315 0.99 MAOA (0.98) MAOAMAOBACHEBACE1KDM4E
SCHEMBL620669 0.93 MAOA (1.00) MAOAMAOBACHEBACE1KDM4E
Hydrochloric Acid SCHEMBL621934 0.92 MAOA (0.98) MAOAMAOBACHEBACE1KDM4E
Hydrochloric Acid SCHEMBL620552 0.92 MAOA (0.98) MAOAMAOBACHEBACE1KDM4E
SCHEMBL112398 0.85 MAOA (1.00) MAOAMAOBACHEBACE1KDM4E
Hydrochloric Acid SCHEMBL30019972 0.84 MAOA (0.97) MAOAMAOBACHEBACE1KDM4E
SCHEMBL2519896 0.77 MAOA (0.76) MAOAMAOBACHEBACE1KDM4E
SCHEMBL16407906 0.76 KDM4E (0.66) MAOAMAOBKDM4ENPC1HTT
SCHEMBL626003 0.76 MAOB (0.78) MAOAMAOBACHEBACE1NPC1

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 9 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-20130330284-A1 NEUROPROTECTIVE AND NEURO-RESTORATIVE IRON CHELATORS AND MONOAMINE OXIDASE INHIBITORS AND USES THEREOF VARINEL INC (US) 2013-12-12 US 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.