SCHEMBL6155219

SCHEMBL6155219

CCCCCC(C)(C)[N+]([O-])=Cc1ccccc1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 6/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
BCHE P06276 1/20 0.36
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
NTSR1 P30989 1/20 0.35
CCR6 P51684 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
S1PR4 O95977 1/20 0.35
ITGA4 P13612 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 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
SCHEMBL6155979 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1NPC1MEN1
SCHEMBL5549224 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1NPC1MEN1
SCHEMBL6155476 0.79 CYP1A2 (0.46) ALDH1A1KMT2AL3MBTL1NPC1MEN1
SCHEMBL6154112 0.76 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1NPC1MEN1
SCHEMBL8141137 0.76 TDP1 (0.46) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL6154475 0.76 PTGS2 (0.43) ALDH1A1KMT2ANPC1MEN1RAB9A
SCHEMBL6153863 0.71 PPARG (0.35) KMT2AL3MBTL1MEN1LMNAMAPT
SCHEMBL6155138 0.70 NPC1 (0.43) KMT2AL3MBTL1NPC1RAB9ALMNA
SCHEMBL6155298 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1NPC1MEN1
SCHEMBL7897440 0.69 ALDH1A1 (0.37) ALDH1A1KMT2AL3MBTL1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP claimed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US claimed
US-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same KELLEHER JUDITH A (US) 2005-06-09 US disclosed
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
US-6441032-B1 TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS CENTAUR PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6433008-B1 TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION CENTAUR PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-6046232-A THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-04 US 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA ALDH1A1 410/4885KMT2A 4081/4885L3MBTL1 3663/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA ALDH1A1 499/4885KMT2A 3999/4885L3MBTL1 3819/4885

“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.