SCHEMBL6153722

SCHEMBL6153722

CCOc1cc(C=[N+]([O-])C(C)C)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.47
PDE4B Q07343 6/20 0.43
PDE4A P27815 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
TUBB1 Q9H4B7 3/20 0.43
DYRK1A Q13627 1/20 0.43
PDE3A Q14432 1/20 0.43
VCP P55072 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40

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
SCHEMBL6154043 0.94 AMY1A (0.47) AMY1APDE4BTUBB1PDE3AVCP
SCHEMBL6154480 0.89 AMY1A (0.45) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL30128825 0.88 VCP (0.53) TUBB1VCPALDH1A1TUBB4ATUBB
SCHEMBL6153754 0.87 AMY1A (0.43) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154216 0.85 AMY1A (0.44) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL30128908 0.83 ALDH1A1 (0.57) DYRK1AALDH1A1MEN1KMT2APTGS2
SCHEMBL6153854 0.83 TOP2A (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL6154681 0.81 AMY1A (0.43) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6155170 0.80 AMY1A (0.47) AMY1APDE4BPDE4APDE4CPDE4D
SCHEMBL6154471 0.80 AMY1A (0.47) AMY1APDE4BPDE4APDE4CPDE4D

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 10 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
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.