SCHEMBL5674567

SCHEMBL5674567

CCCOc1ccc(CCC=[N+]([O-])C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KCNH2 Q12809 2/20 0.39
ACACB O00763 2/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL5672561 0.88 NQO1 (0.42) LMNACA12CA1CA2CA7
SCHEMBL5672559 0.84 ALDH1A1 (0.34) KCNH2ALDH1A1
SCHEMBL5671598 0.82 TAAR1 (0.44) KCNH2MAPTALDH1A1
SCHEMBL5671601 0.78 POLB (0.40) LMNAACACBMAPTALDH1A1
SCHEMBL5671669 0.75 GPR52 (0.37) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL5044078 0.74 KCNA3 (0.44) MAPTALDH1A1LTA4H
SCHEMBL909957 0.73 LMNA (0.58) LMNAL3MBTL1CA12CA1CA2
SCHEMBL8070952 0.73 LMNA (0.54) LMNAL3MBTL1CA12CA1CA2
SCHEMBL5156655 0.72 LMNA (0.65) LMNAL3MBTL1CA12CA1CA2
SCHEMBL10567859 0.70 LMNA (0.62) LMNAL3MBTL1ACACBSLC5A1SLC5A2

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 LMNA 3156/4885L3MBTL1 4283/4885CA12 3999/4885
US-20040142983-A1 Nitrone compounds, pharmaceutical compositions containing the same and methods for treating inflammation and neuropathic pain MMP8, PTGES, NGF LMNA 3156/4885L3MBTL1 4283/4885CA12 3999/4885

“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.