SCHEMBL6154957

SCHEMBL6154957

[O-][N+](=Cc1ccc(OCc2ccccc2)cc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LCK P06239 1/20 0.45
FOXM1 Q08050 1/20 0.44
AMY1A P0DUB6 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6154828 0.99 KDM4E (0.48) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155350 0.99 KDM4E (0.48) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6154081 0.97 LCK (0.45) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6153862 0.94 LCK (0.47) GAAPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155254 0.87 TSHR (0.46) TSHRGSK3BBACE1MAOAMAOB
SCHEMBL6155177 0.86 TSHR (0.45) TSHRGSK3BBACE1MAOAMAOB
SCHEMBL6154092 0.80 PTGS2 (0.47) GAAPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL6154189 0.79 PTGS2 (0.46) GAAPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL6154511 0.79 PTGS2 (0.46) GAAPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL6155316 0.78 APP (0.53) GAAPOLBKDM4EALDH1A1SMN1; SMN2

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
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN 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
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN 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 GAA 237/4885POLB 985/4885KDM4E 3089/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA GAA 219/4885POLB 1015/4885KDM4E 2921/4885

“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.