SCHEMBL2800212

SCHEMBL2800212

COC(=O)c1c(C=[N+]([O-])Cc2ccccc2)cc(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PLA2G2A P14555 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8293541 1.00 PTPN1 (0.44) PTPN1PLA2G2AKMT2AMAPTTP53
SCHEMBL2798858 0.92 PTPN1 (0.45) PTPN1KMT2AMAPTTP53CYP3A4
SCHEMBL8292432 0.92 PTPN1 (0.45) PTPN1KMT2AMAPTTP53CYP3A4
SCHEMBL16290727 0.79 PTPN1 (0.46) PTPN1PLA2G2AKMT2AMAPTTP53
SCHEMBL28670082 0.77 GPR52 (0.47) PTPN1PLA2G2AKMT2AMAPTTP53
SCHEMBL30358570 0.77 GPR52 (0.47) PTPN1PLA2G2AKMT2AMAPTTP53
SCHEMBL16192416 0.77 GPR52 (0.47) PTPN1PLA2G2AKMT2AMAPTTP53
SCHEMBL8293064 0.77 CYP3A4 (0.39) KMT2AMAPTTP53CYP3A4MAOA
SCHEMBL2799443 0.77 CYP3A4 (0.39) KMT2AMAPTTP53CYP3A4MAOA
SCHEMBL16191546 0.75 MAPT (0.57) KMT2AMAPTTP53CYP3A4ATM

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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US 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 PTPN1 271/4885PLA2G2A 2132/4885KMT2A 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 PTPN1 271/4885PLA2G2A 2132/4885KMT2A 2587/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 PTPN1 1684/4885PLA2G2A 1891/4885KMT2A 4071/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 PTPN1 1684/4885PLA2G2A 1891/4885KMT2A 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.