SCHEMBL3631352

SCHEMBL3631352

O=[N+]([O-])c1ccc(O)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
CTSB P07858 1/20 0.46
ITGA4 P13612 3/20 0.46
ITGB7 P26010 3/20 0.46
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
Bromide SCHEMBL8624407 0.99 GPR35 (0.49) GPR35ALDH1A1HPGDTP53TSHR
Hydrochloric Acid SCHEMBL28959880 0.99 GPR35 (0.49) GPR35ALDH1A1HPGDTP53TSHR
SCHEMBL27874598 0.93 GPR35 (0.44) GPR35ALDH1A1HPGDTP53TSHR
SCHEMBL15846971 0.82 HSD17B10 (0.49) ALDH1A1TP53TSHRMAPK1SMN1; SMN2
SCHEMBL15846907 0.82 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1MEN1CRHBP
SCHEMBL9913274 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2MEN1
SCHEMBL18857325 0.78 GPR35 (0.51) GPR35ALDH1A1HPGDTP53TSHR
SCHEMBL360284 0.76 TSHR (0.56) GPR35ALDH1A1HPGDTP53TSHR
SCHEMBL13885858 0.76 EGFR (0.42) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL8409393 0.76 ITGA4 (0.53) GPR35ALDH1A1HPGDTP53TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889734-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-11-18 US disclosed
US-20130261321-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2013-10-03 US disclosed
US-8501971-B2 Process for the preparation of dronedarone SANOFI (FR) 2013-08-06 US disclosed
US-8501971-B2 Process for the preparation of dronedarone SANOFI (FR) 2013-08-06 US disclosed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
WO-2012153225-A1 IMPROVED PROCESSES FOR OBTAINING HIGH PURITY OF DRONEDARONE HYDROCHLORIDE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-11-15 WO disclosed
US-20120289717-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-11-15 US disclosed
US-20120108828-A1 SYNTHESIS OF DRONEDARONE AND SALTS THEREOF USV Limited, B.S.D. Marg (IN) 2012-05-03 US disclosed
EP-2144866-A1 METHOD FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN Finorga (FR) 2010-01-20 EP disclosed
WO-2008152217-A2 PROCESS FOR PREPARING 2-(N-BUTYL)-5-NITROBENZOFURAN FINORGA (FR) 2008-12-18 WO disclosed
EP-1222181-B1 METHOD FOR PREPARING A BENZOFURAN OR BENZOTHIOPHENE COMPOUND RHODIA CHIMIE SA (FR) 2003-12-10 EP 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-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
WO-2001029019-A1 METHOD FOR PREPARING A BENZOFURAN OR BENZOTHIOPHENE COMPOUND RHODIA CHIMIE (FR) 2001-04-26 WO disclosed
EP-0859776-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
EP-0859775-A1 COMPOUNDS DERIVED FROM 3-(BENZOFURAN-5-YL)OXAZOLIDIN-2-ONE, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
WO-1997017346-A1 COMPOUNDS DERIVED FROM 3-(BENZOFURAN-5-YL)OXAZOLIDIN-2-ONE, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 WO disclosed
WO-1997017347-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 WO disclosed
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 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-20120108828-A1 SYNTHESIS OF DRONEDARONE AND SALTS THEREOF CYP3A4, CYP2D6, CYP3A43 GPR35 4699/4885ALDH1A1 1001/4885HPGD 1453/4885
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 GPR35 4712/4885ALDH1A1 1830/4885HPGD 2330/4885
US-20120289717-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE CYP3A4, CYP4B1, CYP2D6 GPR35 4409/4885ALDH1A1 803/4885HPGD 1292/4885
US-20130261321-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE CYP2D6, CYP3A4, CYP4B1 GPR35 4561/4885ALDH1A1 842/4885HPGD 1209/4885

“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.