SCHEMBL2800995

SCHEMBL2800995

COC(=O)c1ccccc1C=[N+]([O-])C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
BRAF P15056 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 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
SCHEMBL8294637 1.00 LMNA (0.45) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL2797694 0.83 ALDH1A1 (0.42) LMNATSHRALDH1A1CA1CA2
SCHEMBL8293070 0.83 ALDH1A1 (0.42) LMNATSHRALDH1A1CA1CA2
SCHEMBL13232748 0.83 ALDH1A1 (0.42) LMNATSHRALDH1A1CA1CA2
SCHEMBL5554994 0.79 TSHR (0.45) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL8293540 0.79 MEN1 (0.41) LMNAALDH1A1ATMKMT2AMAPT
SCHEMBL2799190 0.79 MEN1 (0.41) LMNAALDH1A1ATMKMT2AMAPT
SCHEMBL8294628 0.77 PKM (0.45) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL2798668 0.77 PKM (0.45) LMNATSHRALDH1A1CFTRHSD17B10
SCHEMBL69553 0.75 BACE1 (0.60) LMNATSHRALDH1A1CFTRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3988229-A Stabilized photopolymerizable polymeric compositions containing a photoinitiator and a nitrone derivative EASTMAN KODAK COMPANY (US) 1976-10-26 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
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

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 LMNA 2903/4885TSHR 1903/4885ALDH1A1 487/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT LMNA 2903/4885TSHR 1903/4885ALDH1A1 487/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 LMNA 3216/4885TSHR 3997/4885ALDH1A1 226/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 LMNA 3216/4885TSHR 3997/4885ALDH1A1 226/4885

“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.