SCHEMBL5039290

SCHEMBL5039290

[O-][N+](=CCOc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
KCNA3 P22001 1/20 0.38
BCHE P06276 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
DRD4 P21917 2/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL5035885 0.89 LTA4H (0.46) BCHEMAOBDRD4ALDH1A1SMN1; SMN2
SCHEMBL5131445 0.83 KCNA3 (0.44) KCNA3BCHEMAOAMAOBTLR4
SCHEMBL5046082 0.79 NPC1 (0.37) BCHETLR4TLR2ALDH1A1SMN1; SMN2
SCHEMBL3334314 0.79 TSHR (0.48) BCHERAB9AKMT2A
SCHEMBL3334310 0.79 TSHR (0.48) BCHERAB9AKMT2A
SCHEMBL27507506 0.75 MAOB (0.46) BCHEMAOBLMNAALDH1A1CYP1A2
SCHEMBL29094830 0.73 TP53 (0.41) BCHEMAOBLMNAALDH1A1CYP1A2
SCHEMBL15944116 0.73 TP53 (0.41) BCHEMAOBLMNAALDH1A1CYP1A2
SCHEMBL29094802 0.72 ALDH1A1 (0.38) MAOAMAOBALDH1A1SMN1; SMN2TAAR1
SCHEMBL5039037 0.71 AOC3 (0.46) AOC3KCNA3MAOAMAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 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-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 AOC3 1290/4885KCNA3 2879/4885BCHE 235/4885

“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.