SCHEMBL2797694

SCHEMBL2797694

CC(C)(C)[N+]([O-])=Cc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL8293070 1.00 ALDH1A1 (0.42) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL13232748 1.00 ALDH1A1 (0.42) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL8293540 0.83 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2800995 0.83 LMNA (0.45) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL2799190 0.83 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8294637 0.83 LMNA (0.45) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL13232746 0.81 ALOX15 (0.46) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL13232787 0.80 TSHR (0.40) KMT2AMEN1LMNATSHRKDM4E
SCHEMBL14992838 0.77 LMNA (0.46) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL13232745 0.77 LMNA (0.46) ALDH1A1ALOX15KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP claimed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP claimed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO claimed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 US claimed
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
CN-101123959-A Aryl, heteroaryl and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions thereof for the treatment of human diseases RENOVIS INC (US) 2008-02-13 CN disclosed
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 US disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 WO disclosed
US-6140356-A Opthalmic pharmaceutical compositions comprising a nitrone compound and methods for treating ocular inflammation using such compositions CENTAUR PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-5972977-A ALPHA-(4-PYRIDYL 1-OXIDE)-N-HYDROCARBYLNITRON USEFUL FOR TREATING EYE INFLAMMATION CONDITION SUCH AS UVEITIS CENTAUR PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
CN-1219130-A Composition comprising a nitrone compound for use in treating ocular inflammation CENTAUR PHARMACEUTICAL INC (US) 1999-06-09 CN 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 (4 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885ALOX15 205/4885KMT2A 2587/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885ALOX15 205/4885KMT2A 2587/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885ALOX15 140/4885KMT2A 4071/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885ALOX15 140/4885KMT2A 4071/4885

“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.