SCHEMBL6154475

SCHEMBL6154475

CCCCCC(C)(C)[N+]([O-])=Cc1ccc(OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RELA Q04206 1/20 0.40
MAOB P27338 1/20 0.39
NQO1 P15559 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
ESR1 P03372 2/20 0.36
AHR P35869 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
NCOA1 Q15788 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
SCHEMBL6155138 0.85 NPC1 (0.43) PTGS2KMT2AMAOBNPC1RAB9A
SCHEMBL8141137 0.81 TDP1 (0.46) KMT2AALDH1A1POLB
SCHEMBL6154484 0.81 PTGS2 (0.51) PTGS2KMT2AALDH1A1RELAMAOB
SCHEMBL6154944 0.80 AMY1A (0.41) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL14417987 0.78 NR5A1 (0.46) TP53AHRNCOA1NCOA3
SCHEMBL6155704 0.78 NR5A1 (0.46) TP53AHRNCOA1NCOA3
SCHEMBL6154192 0.78 AHR (0.45) KMT2AALDH1A1NPC1RAB9AMAPT
SCHEMBL6155245 0.77 NR5A1 (0.49) TP53AHRNCOA1NCOA3
SCHEMBL14831139 0.77 NR5A1 (0.49) TP53AHRNCOA1NCOA3
SCHEMBL6153907 0.77 NR5A1 (0.49) TP53AHRNCOA1NCOA3

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 PTGS2 709/4885KMT2A 4081/4885ALDH1A1 410/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA PTGS2 755/4885KMT2A 3999/4885ALDH1A1 499/4885

“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.