SCHEMBL2798668

SCHEMBL2798668

COC(=O)c1ccccc1C=[N+]([O-])Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
SLC6A3 Q01959 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8294628 1.00 PKM (0.45) PKML3MBTL1BACE1KDM4EALDH1A1
SCHEMBL2797525 0.85 BCHE (0.43) KDM4EALDH1A1GAABCHELMNA
SCHEMBL8294831 0.85 BCHE (0.43) KDM4EALDH1A1GAABCHELMNA
SCHEMBL5554994 0.79 TSHR (0.45) BACE1KDM4EALDH1A1GAALMNA
SCHEMBL8294637 0.77 LMNA (0.45) BACE1KDM4EALDH1A1LMNATSHR
SCHEMBL2800995 0.77 LMNA (0.45) BACE1KDM4EALDH1A1LMNATSHR
SCHEMBL29094796 0.76 BCHE (0.55) L3MBTL1KDM4EALDH1A1GAABCHE
SCHEMBL2800212 0.75 PTPN1 (0.44) L3MBTL1KDM4EALDH1A1GAALMNA
Benzene SCHEMBL28217563 0.73 TSHR (0.55) BACE1KDM4EALDH1A1LMNATSHR
SCHEMBL3173061 0.72 ALDH1A1 (0.46) PKML3MBTL1BACE1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PKM 2724/4885L3MBTL1 2857/4885BACE1 255/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT PKM 2724/4885L3MBTL1 2857/4885BACE1 255/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 PKM 1983/4885L3MBTL1 3140/4885BACE1 2953/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 PKM 1983/4885L3MBTL1 3140/4885BACE1 2953/4885

“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.