SCHEMBL1305384

SCHEMBL1305384

CC(C)(Oc1ccc(N(C(N)=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KMT2A Q03164 4/20 0.43
PPARA Q07869 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARD Q03181 2/20 0.42
NR1H4 Q96RI1 2/20 0.41
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
PPARG P37231 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1304978 0.92 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1304940 0.85 PPARD (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9303083 0.85 PPARA (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9131119 0.82 PPARA (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1305297 0.81 PPARA (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28099900 0.81 KMT2A (0.51) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL28099896 0.81 KMT2A (0.51) KMT2AMAPTMEN1CYP1A2CYP3A4
SCHEMBL1305387 0.79 MAPT (0.42) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL9303656 0.78 PPARA (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1305526 0.76 PPARA (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US claimed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US claimed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP claimed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO claimed
US-9309304-B2 Glycation cross-link breakers to increase resistance to enzymatic degradation CORNELL UNIVERSITY (US) 2016-04-12 US disclosed
US-20130310539-A1 Glycation Cross-link Breakers to Increase Resistance to Enzymatic Degradation NEW YORK SOCIETY FOR THE RELIEF OF THE RUPTURED AND CRIPPLED, MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY 2013-11-21 US disclosed
US-8053449-B2 Method for inhibiting AGE complex formation Cell Viable Corporation (US) 2011-11-08 US disclosed
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US disclosed
US-20080076804-A1 METHODS FOR INHIBITING AND BREAKING AGE COMPLEX FORMATION Cell Viable Corporation 2008-03-27 US disclosed
US-20070099966-A1 Device and Method for Inhibiting AGE Complex Formation Cell Viable Corporation 2007-05-03 US disclosed
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed
US-6693106-B2 INHIBIT SOME OF THE ILL EFFECTS CAUSED BY DIABETES OR BY AGING; PREVENTING PREMATURE AGING, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE, UREMIA, NEUROTOXICITY, ATHEROSCLEROSIS AND SPOILAGE OF PROTEINS IN FOOD CITY OF HOPE 2004-02-17 US disclosed
US-20020128278-A1 Pentoxifylline, pioglitazone and metformin are inhibitors of formation of advanced glycation endproducts (AGE's) RAHBAR SAMUEL (US) 2002-09-12 US disclosed
US-20020123501-A1 Pentoxifylline, pioglitazone and metformin are inhibitors of formation of advanced glycation endproducts (AGE' s) RAHBAR SAMUEL (US) 2002-09-05 US disclosed
EP-1210087-A2 PENTOXIFYLLINE, PIOGLITAZONE AND METFORMIN ARE INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-06-05 EP disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP disclosed
WO-2000066102-A2 PENTOXIFYLLINE, PIOGLITAZONE AND METFORMIN ARE INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-11-09 WO disclosed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO disclosed