SCHEMBL6154647

SCHEMBL6154647

CCOc1cc(OCC)c(C=[N+]([O-])C2CCCCC2)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
TSHR P16473 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
APOBEC3G Q9HC16 1/20 0.33
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8102943 0.79 POLB (0.41) NPBWR1MCHR1LMNAALDH1A1GAA
SCHEMBL6154189 0.77 PTGS2 (0.46) LMNAALDH1A1GAAMAPTHPGD
SCHEMBL6154511 0.77 PTGS2 (0.46) LMNAALDH1A1GAAMAPTHPGD
SCHEMBL6154092 0.75 PTGS2 (0.47) LMNAALDH1A1GAAMAPTHPGD
SCHEMBL6155708 0.75 ALDH1A1 (0.45) NPBWR1MCHR1LMNAALDH1A1GAA
SCHEMBL6153879 0.75 ALDH1A1 (0.45) NPBWR1MCHR1LMNAALDH1A1GAA
SCHEMBL6154006 0.74 AMY1A (0.45) NPBWR1MCHR1ALDH1A1HPGDKMT2A
SCHEMBL6154696 0.74 AMY1A (0.45) NPBWR1MCHR1ALDH1A1HPGDKMT2A
SCHEMBL30128816 0.74 ALDH1A1 (0.51) ALDH1A1GAAMAPTHPGDPOLB
SCHEMBL6154342 0.74 KMT2A (0.50) LMNAALDH1A1GAAMAPTHPGD

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 12 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
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
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 NPBWR1 2160/4885MCHR1 2842/4885LMNA 514/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA NPBWR1 2252/4885MCHR1 2902/4885LMNA 577/4885

“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.