SCHEMBL2652355

SCHEMBL2652355

O=Cc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.69
ALDH1A1 P00352 5/20 0.53
PTPN1 P18031 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
TSHR P16473 3/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 2/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL16309635 0.88 ERN1 (0.61) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL2923685 0.88 ERN1 (0.65) ERN1ALDH1A1PTPN1TSHRLMNA
SCHEMBL30586446 0.88 ERN1 (0.65) ERN1ALDH1A1PTPN1TSHRLMNA
SCHEMBL12798324 0.85 ERN1 (0.67) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL31098731 0.85 ERN1 (0.67) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL16307975 0.84 ERN1 (0.60) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL1800032 0.83 ERN1 (0.65) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL13858604 0.83 ERN1 (0.65) ERN1ALDH1A1PTPN1TXNRD1TXNRD3
SCHEMBL307134 0.83 ERN1 (0.65) ERN1ALDH1A1PTPN1LMNATDP1
SCHEMBL203753 0.83 ERN1 (0.59) ERN1ALDH1A1PTPN1TXNRD1TXNRD3

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-7476767-B2 Alpha-hydroxy sulfonate aldehydes, germicidal compositions containing the alpha-hydroxy sulfonate aldehydes, or mixtures of alpha-hydroxy sulfonate aldehydes and phthalaldehydes, and methods of using the compounds or compositions for disinfection or sterilization ETHICON, INC. (US) 2009-01-13 US disclosed
US-7390837-B2 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2008-06-24 US disclosed
CN-1247574-C Isoindolin-1-one glucokinase activators HOFFMANN LA ROCHE (CH) 2006-03-29 CN disclosed
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1481382-A Isoindolin-1-one glucokinase activators - 2004-03-10 CN disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 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-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 ERN1 1202/4885ALDH1A1 1838/4885PTPN1 3874/4885

“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.