SCHEMBL178579

SCHEMBL178579

C#CCNC(CO)C(=O)NNCCc1ccc(O)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.48
MAOB P27338 4/20 0.48
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 10/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
NPC1 O15118 4/20 0.44
HTT P42858 4/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX12 P18054 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 1/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL178578 0.81 KDM4E (0.51) KDM4EL3MBTL1NPC1HTTRAB9A
SCHEMBL112261 0.78 MAOA (0.53) MAOAMAOBACHEBACE1KDM4E
SCHEMBL113620 0.78 MAOA (0.53) MAOAMAOBACHEBACE1KDM4E
SCHEMBL113766 0.78 MAOA (0.53) MAOAMAOBACHEBACE1KDM4E
SCHEMBL114736 0.75 KDM4E (0.52) MAOAMAOBACHEBACE1KDM4E
SCHEMBL623365 0.74 MAOA (0.56) MAOAMAOBACHEBACE1KDM4E
SCHEMBL112274 0.73 BRD4 (0.48) MAOAMAOBACHEBACE1KDM4E
SCHEMBL113669 0.73 BRD4 (0.48) MAOAMAOBACHEBACE1KDM4E
SCHEMBL113635 0.73 BRD4 (0.48) MAOAMAOBACHEBACE1KDM4E
SCHEMBL112199 0.69 MAOA (0.80) MAOAMAOBACHEBACE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 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

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-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 MAOA 1054/4885MAOB 1687/4885ACHE 3713/4885

“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.