SCHEMBL5674577

SCHEMBL5674577

CC(C)(C)[N+]([O-])=CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PRMT1 Q99873 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ARG2 P78540 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL5671669 0.81 GPR52 (0.37) SLC6A2TAAR1LMNATDP1KMT2A
SCHEMBL8552112 0.77 MAOB (0.48) MAOBTDP1TP53CA1CA2
SCHEMBL8552111 0.77 MAOB (0.48) MAOBTDP1TP53CA1CA2
SCHEMBL5671609 0.77 L3MBTL1 (0.41) MAOB
SCHEMBL5038975 0.77 TSHR (0.45) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL5673067 0.75 SIGMAR1 (0.42)
SCHEMBL29185811 0.72 MAOB (0.43) MAOBSLC6A2TAAR1CYP2D6TP53
SCHEMBL5039037 0.72 AOC3 (0.46) MAOBTAAR1CYP2D6LMNAALDH1A1
SCHEMBL9631441 0.72 HTR2A (0.41) MAOBTDP1KMT2AMEN1NPC1
SCHEMBL16329903 0.72 MAOB (0.52) MAOBSLC6A2TAAR1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115666-B2 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain RENOVIS, INC. (US) 2006-10-03 US disclosed
EP-1578717-A4 NITRONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING INFLAMMATION AND NEUROPATHIC PAIN RENOVIS INC (US) 2006-08-09 EP disclosed
US-20060100289-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain RENOVIS, INC. 2006-05-11 US disclosed
EP-1578717-A2 NITRONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING INFLAMMATION AND NEUROPATHIC PAIN Renovis, Inc. (US) 2005-09-28 EP disclosed
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain RENOVIS, INC. 2004-07-22 US disclosed
WO-2004034999-A2 NITRONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING INFLAMMATION AND NEUROPATHIC PAIN RENOVIS, INC. (US) 2004-04-29 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-20060100289-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF MAOB 1252/4885SLC6A2 1702/4885TAAR1 857/4885
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF MAOB 1252/4885SLC6A2 1702/4885TAAR1 857/4885

“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.