SCHEMBL6154944

SCHEMBL6154944

CCCCCC(C)(C)[N+]([O-])=Cc1ccc(OC)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.41
PDE4B Q07343 6/20 0.40
PDE4A P27815 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
TUBB1 Q9H4B7 2/20 0.40
DYRK1A Q13627 1/20 0.40
PDE3A Q14432 1/20 0.40
TOP2A P11388 1/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 3/20 0.37
VCP P55072 1/20 0.36
CNR1 P21554 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6154321 0.86 AMY1A (0.45) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154369 0.84 AMY1A (0.43) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6155170 0.83 AMY1A (0.47) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154360 0.82 AMY1A (0.42) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154475 0.80 PTGS2 (0.43) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL6155725 0.79 AMY1A (0.45) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154368 0.78 KMT2A (0.41) TOP2AMAPTKDM4EMEN1KMT2A
SCHEMBL6153914 0.76 ALDH1A1 (0.45) PDE4ATUBB1MAPTKDM4ELMNA
SCHEMBL6154471 0.76 AMY1A (0.47) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6155219 0.75 ALDH1A1 (0.39) MAPTNPC1RAB9AKDM4ELMNA

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 13 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
EP-1025079-A1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-08-09 EP claimed
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 claimed
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 WO 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
EP-1025079-A1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-08-09 EP 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
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 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-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA AMY1A 138/4885PDE4B 419/4885PDE4A 232/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA AMY1A 168/4885PDE4B 366/4885PDE4A 229/4885

“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.