SCHEMBL5673022

SCHEMBL5673022

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
LDHA P00338 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 1/20 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
SCHEMBL5673042 0.81 TP53 (0.58) TP53TSHRALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL5671598 0.72 TAAR1 (0.44) TP53TSHRALDH1A1CYP3A4ALOX15
SCHEMBL9900714 0.72 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL8283115 0.72 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL113550 0.72 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL30290019 0.72 SLC6A4 (0.58) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL15314133 0.70 SLC6A4 (0.56) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL5674543 0.70 CALM1 (0.46) ALOX15
SCHEMBL12776284 0.70 SLC6A4 (0.60) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL19559508 0.69 SLC6A4 (0.55) SLC6A4LDHACYP1A2CYP2D6CYP2C19

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 9 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
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 (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-20060100289-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF SLC6A4 2648/4885LDHA 1991/4885CYP1A2 797/4885

“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.