SCHEMBL6154092

SCHEMBL6154092

CCOc1ccc(C=[N+]([O-])C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
RELA Q04206 1/20 0.42
NQO1 P15559 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.39
AHR P35869 1/20 0.39
MAOB P27338 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 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
SCHEMBL6154511 0.98 PTGS2 (0.46) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6154189 0.98 PTGS2 (0.46) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL27521740 0.97 KMT2A (0.48) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6154957 0.80 GAA (0.48) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6154828 0.79 KDM4E (0.48) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6155350 0.79 KDM4E (0.48) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6153992 0.78 AMY1A (0.46) KMT2AALDH1A1MEN1HPGD
SCHEMBL6155254 0.78 TSHR (0.46) NPC1RAB9AMAOB
SCHEMBL6154081 0.77 LCK (0.45) PTGS2NPC1RAB9AKMT2AGAA
SCHEMBL6154006 0.77 AMY1A (0.45) KMT2AALDH1A1HPGD

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
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
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 PTGS2 709/4885NPC1 389/4885RAB9A 2194/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA PTGS2 755/4885NPC1 400/4885RAB9A 2090/4885

“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.