SCHEMBL6233340

SCHEMBL6233340

CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
POLB P06746 1/20 0.40
PTGES O14684 2/20 0.40
ALOX5 P09917 2/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
MMP1 P03956 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6465588 1.00 ERN1 (0.43) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6465591 0.90 ERN1 (0.42) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL6237455 0.89 MAPT (0.42) ERN1SMN1; SMN2CYSLTR2CYSLTR1POLB
SCHEMBL6459325 0.89 ALDH1A1 (0.42) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL7643417 0.85 ERN1 (0.38) ERN1GAASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL14707709 0.82 PPARG (0.44) GAASMN1; SMN2PTGESALOX5PPARG
SCHEMBL2330339 0.81 PPARA (0.44) PTGESALOX5PPARGALDH1A1MAPT
SCHEMBL2547539 0.81 PTGDR2 (0.51) ERN1SMN1; SMN2CYSLTR2CYSLTR1POLB
SCHEMBL2562538 0.80 ERN1 (0.46) ERN1POLBALDH1A1MAPTCYP2D6
SCHEMBL15332076 0.79 ERN1 (0.50) ERN1SMN1; SMN2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP claimed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US claimed
CN-101948455-B Preparation method of 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran SHANDONG ZOUPING DAZHAN NEW MATERIAL CO LTD 2012-11-14 CN disclosed
CN-101948455-A Preparation method of 2-n-butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran SHANDONG ZOUPING DAZHAN NEW MATERIAL CO LTD 2011-01-19 CN disclosed
CN-101948454-A Method for preparing 2-butyl-5-nitrobenzofuran SHANDONG ZOUPING DAZHAN NEW MATERIAL CO LTD 2011-01-19 CN disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP disclosed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US disclosed
US-6855842-B1 Intermediates for making a bezofuran or benzothiophene derivative nitrated in position 5 and uses thereof RHODIA CHIMIE (FR) 2005-02-15 US disclosed
EP-1222181-B1 METHOD FOR PREPARING A BENZOFURAN OR BENZOTHIOPHENE COMPOUND RHODIA CHIMIE SA (FR) 2003-12-10 EP disclosed
US-6555697-B1 Cyclizing a 1-(2-carboxyethyloxy or thio-),2-formylbenzene in the presence of an efficient amount of a carbonate base in a medium comprising a carboxylic acid anhydride; intermediate for 2-n-butyl-5-nitrobenzofuran RHODIA CHIMIE (FR) 2003-04-29 US disclosed
JP-2002255954-A METHOD FOR PRODUCING 2-n-BUTYL-5-NITROBENZOFURAN ISHINO YOSHIO 2002-09-11 JP disclosed
EP-1222159-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2002-07-17 EP disclosed
EP-1222181-A1 METHOD FOR PREPARING A BENZOFURAN OR BENZOTHIOPHENE COMPOUND RHODIA CHIMIE (FR) 2002-07-17 EP disclosed
WO-2001029019-A1 METHOD FOR PREPARING A BENZOFURAN OR BENZOTHIOPHENE COMPOUND RHODIA CHIMIE (FR) 2001-04-26 WO disclosed
WO-2001028974-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2001-04-26 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-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SULT1A1, SULT1E1, FPR1 ERN1 1853/4885GAA 3152/4885SMN1; SMN2 2443/4885

“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.