SCHEMBL6154696

SCHEMBL6154696

CCOc1cc(C=[N+]([O-])C2CCCCCCC2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.45
KMT2A Q03164 1/20 0.45
PDE4B Q07343 3/20 0.41
DYRK1A Q13627 1/20 0.41
PDE3A Q14432 1/20 0.41
HPGD P15428 3/20 0.41
APOBEC3G Q9HC16 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TUBB1 Q9H4B7 2/20 0.39
IGF1R P08069 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
VCP P55072 1/20 0.38

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
SCHEMBL6154006 1.00 AMY1A (0.45) AMY1AKMT2APDE4BDYRK1APDE3A
SCHEMBL6153992 0.99 AMY1A (0.46) AMY1AKMT2APDE4BDYRK1APDE3A
SCHEMBL6155244 0.96 KMT2A (0.48) AMY1AKMT2APDE4BDYRK1APDE3A
SCHEMBL6154342 0.95 KMT2A (0.50) AMY1AKMT2APDE4BPDE3AHPGD
SCHEMBL6153956 0.94 AMY1A (0.45) AMY1AKMT2APDE4BDYRK1APDE3A
SCHEMBL30128816 0.85 ALDH1A1 (0.51) KMT2ADYRK1AHPGDALDH1A1
SCHEMBL6154567 0.85 HPGD (0.42) KMT2AHPGDAPOBEC3GALDH1A1NPBWR1
SCHEMBL14993336 0.81 ALDH1A1 (0.50) KMT2AHPGDALDH1A1VCP
SCHEMBL14993339 0.81 ALDH1A1 (0.50) KMT2AHPGDALDH1A1VCP
SCHEMBL14993338 0.81 ALDH1A1 (0.50) KMT2AHPGDALDH1A1VCP

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 AMY1A 138/4885KMT2A 4081/4885PDE4B 419/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA AMY1A 168/4885KMT2A 3999/4885PDE4B 366/4885

“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.