SCHEMBL4020085

SCHEMBL4020085

CC(C)C[N+]([O-])=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 3/20 0.36
FBP1 P09467 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL19009121 0.83 NPC1 (0.36) G6PDPOLBGAANPC1RAB9A
SCHEMBL8699062 0.79 FBP1 (0.41) NPC1RAB9ATDP1FBP1ALDH1A1
SCHEMBL1404270 0.77 G6PD (0.42) G6PDPOLBGAANPC1RAB9A
SCHEMBL8696553 0.77 ALDH1A1 (0.44) NPC1RAB9ATDP1HTR2AFBP1
SCHEMBL14617615 0.76 G6PD (0.45) G6PDPOLBGAANPC1RAB9A
SCHEMBL8697830 0.73 KMT2A (0.41) GAATDP1FBP1ALDH1A1KMT2A
SCHEMBL566832 0.72 NPC1 (0.45) G6PDPOLBGAANPC1RAB9A
SCHEMBL13924679 0.72 NPC1 (0.45) G6PDPOLBGAANPC1RAB9A
SCHEMBL8704050 0.71 MAPT (0.40) POLBNPC1RAB9AALDH1A1KMT2A
SCHEMBL8697540 0.71 G6PD (0.43) G6PDGAAALDH1A1KMT2AMAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077694-B1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE RENOVIS INC (US) 2004-07-21 EP claimed
US-6258852-B1 NITRONE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-07-10 US claimed
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 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
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
US-7485684-B2 Functionalization of living rubbery polymers with nitrones THE GOODYEAR TIRE & RUBBER COMPANY (US) 2009-02-03 US disclosed
US-20070004869-A1 Functionalization of living rubbery polymers with nitrones THE GOODYEAR TIRE & RUBBER COMPANY (US) 2007-01-04 US disclosed
EP-1739098-A2 Functionalization of living rubbery polymers with nitrones The Goodyear Tire & Rubber Company (US) 2007-01-03 EP disclosed
US-7125934-B1 Functionalization of living rubbery polymers with nitrones THE GOODYEAR TIRE & RUBBER COMPANY (US) 2006-10-24 US disclosed
EP-1077694-B1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE RENOVIS INC (US) 2004-07-21 EP disclosed
US-6762322-B1 CYCLIZING IMINE GROUP TO OXAZIRIDINE RING USING PEROXYSULFATE OXIDIZING AGENT AND REARRANGING TO OXIME FUNCTIONALITY GOODYEAR TIRE & RUBBER COMPANY 2004-07-13 US disclosed
US-20040122225-A1 PREPARATION OF NITRONE DERIVATIVES THE GOODYEAR TIRE & RUBBER COMPANY 2004-06-24 US disclosed
US-20020052447-A1 Rubber-containing sytrenic resin and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. 2002-05-02 US disclosed
US-6333381-B1 MORPHOLOGY AND THE PARTICLE SIZE OF RUBBER PARTICLES DISPERSED IN A STYRENIC RESIN ARE CONTROLLABLE; IMPROVING THE IMPACT RESISTANCE; SURFACE GLOSS; GRAFT POLYMERS; DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
US-6258852-B1 NITRONE COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISEASE CENTAUR PHARMACEUTICALS, INC. 2001-07-10 US disclosed
EP-1077694-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP disclosed
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 disclosed
CN-1254722-A Styrene resin containing rubber and preparing process thereof DAICEL CHEM (JP) 2000-05-31 CN disclosed
EP-1002812-A1 Rubber-containing styrenic resin and process for producing the same Daicel Chemical Industries, Ltd. (JP) 2000-05-24 EP disclosed
WO-1999059576-A1 ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 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 (1 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-20040122225-A1 PREPARATION OF NITRONE DERIVATIVES NOX5, NDUFS5, NDUFS8 G6PD 297/4885POLB 335/4885GAA 4702/4885

“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.