SCHEMBL5671598

SCHEMBL5671598

COc1ccc(CCC=[N+]([O-])C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
CALM1 P0DP23 2/20 0.41
MAOB P27338 2/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
F2RL1 P55085 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 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
SCHEMBL5674543 0.91 CALM1 (0.46) TAAR1CALM1MAOBKCNJ1KCNH2
SCHEMBL5672559 0.86 ALDH1A1 (0.34) KCNH2ALDH1A1
SCHEMBL5672561 0.84 NQO1 (0.42) SMN1; SMN2TSHR
SCHEMBL5671601 0.83 POLB (0.40) ALDH1A1SMN1; SMN2MAPT
SCHEMBL5674567 0.82 LMNA (0.46) KCNH2ALDH1A1MAPT
SCHEMBL5671669 0.80 GPR52 (0.37) TAAR1ALDH1A1SMN1; SMN2MAPTALOX15
SCHEMBL5040616 0.77 MAOB (0.38) MAOBAOC3ALDH1A1SMN1; SMN2TP53
SCHEMBL5673022 0.72 SLC6A4 (0.47) SIGMAR1ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL5672605 0.72 AOC3 (0.44) AOC3ALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL3085735 0.71 TAAR1 (0.57) TAAR1CALM1MAOBSIGMAR1AOC3

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 TAAR1 857/4885CALM1 969/4885MAOB 1252/4885
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF TAAR1 857/4885CALM1 969/4885MAOB 1252/4885

“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.