SCHEMBL6154339

SCHEMBL6154339

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
GSK3B P49841 1/20 0.47
BACE1 P56817 1/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL6155983 0.87 APP (0.50) PPARGPPARARAB9ASMN1; SMN2NPC1
SCHEMBL6156047 0.86 MAOB (0.49) GSK3BBACE1MAOBCA12CA1
SCHEMBL13620471 0.83 LMNA (0.51) LCKLMNACYP1A2PTGS1SLC6A2
SCHEMBL6155138 0.82 NPC1 (0.43) LCKLMNACYP1A2PTGS1SLC6A2
SCHEMBL6154484 0.80 PTGS2 (0.51) PTGS2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6155339 0.79 CYP1A2 (0.48) LCKLMNACYP1A2PTGS1SLC6A2
SCHEMBL6153962 0.79 ALDH1A1 (0.55) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6155514 0.78 GSK3B (0.49) LCKLMNACYP1A2PTGS1SLC6A2
SCHEMBL6154192 0.77 AHR (0.45) LMNARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6260317 0.77 TDP1 (0.59) MAPTGAAL3MBTL1KMT2AALDH1A1

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 29 patents — showing the first 20. 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
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
CN-1281432-A alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing them CENTAUR PHARMACEUTICALS INC (US) 2001-01-24 CN claimed
US-6110447-A MIXTURES WITH SULFONAMIDES L'OREAL (FR) 2000-08-29 US 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-6083989-A ADMINISTERING TO THE PATIENT SUFFERING FROM INFLAMMATORY BOWL MOVEMENT AN N-SUBSTITUTED ARYL NITRON COMPOUND OR SALT CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-04 US 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-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 WO claimed
US-5516794-A FOR THE TREATMENT OF BONE RESORPTION INVERNI DELLA BEEFA S.P.A. (IT) 1996-05-14 US claimed
US-4670556-A BY-PRODUCT INHIBITION AKZO NV (NL) 1987-06-02 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
EP-1077694-B1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE RENOVIS INC (US) 2004-07-21 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO disclosed
US-5516794-A FOR THE TREATMENT OF BONE RESORPTION INVERNI DELLA BEEFA S.P.A. (IT) 1996-05-14 US disclosed
US-5516794-A FOR THE TREATMENT OF BONE RESORPTION INVERNI DELLA BEEFA S.P.A. (IT) 1996-05-14 US disclosed
US-4670556-A BY-PRODUCT INHIBITION AKZO NV (NL) 1987-06-02 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 LCK 2204/4885LMNA 514/4885CYP1A2 546/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA LCK 1906/4885LMNA 577/4885CYP1A2 555/4885

“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.