SCHEMBL4582780

SCHEMBL4582780

COc1ccc(C(=O)C=NO)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.58
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
ACHE P22303 3/20 0.47
GPR183 P32249 5/20 0.41
MAPT P10636 2/20 0.41
OXTR P30559 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4582774 1.00 NNMT (0.58) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL18228074 0.77 NNMT (0.72) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL28690109 0.76 NNMT (0.57) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL30474575 0.76 NNMT (0.57) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL27313612 0.76 NNMT (0.66) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL14681145 0.76 ACHE (0.44) ACHEMAPT
SCHEMBL14674447 0.76 ACHE (0.44) ACHEMAPT
SCHEMBL29757598 0.75 NNMT (0.70) NNMTMKNK1MKNK2MAPTOXTR
SCHEMBL29514668 0.75 NNMT (0.70) NNMTMAOAMAOBMKNK1MKNK2
SCHEMBL185291 0.75 NNMT (0.70) NNMTMKNK1MKNK2MAPTOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 NNMT 2463/4885MAOA 392/4885MAOB 365/4885

“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.