SCHEMBL12370192

SCHEMBL12370192

CCCCc1cc2cc(C)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
MAOB P27338 7/20 0.44
ALDH1A1 P00352 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ALOX15 P16050 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL10139429 0.89 MAOB (0.46) TLR8MAOBALDH1A1TAS1R3TAS1R1
SCHEMBL11559549 0.82 MAOB (0.49) MAOBALDH1A1TAS1R3TAS1R1ADORA3
SCHEMBL2331524 0.81 KMT2A (0.55) TLR8MAOBALDH1A1ALOX15F2
SCHEMBL2327940 0.81 TLR8 (0.43) TLR8ALOX15F2F10MAPT
SCHEMBL2333763 0.81 CYP19A1 (0.47) TLR8ALOX15F2F10MAPT
SCHEMBL284155 0.81 TLR8 (0.50) TLR8ALOX15F2F10MAPT
SCHEMBL2326095 0.81 TLR8 (0.43) TLR8ALOX15F2F10MAPT
SCHEMBL2330441 0.81 ALOX15 (0.58) TLR8MAOBALDH1A1ALOX15F2
SCHEMBL10729516 0.81 F2 (0.46) MAOBALDH1A1TAS1R3TAS1R1F2
Hydrochloric Acid SCHEMBL5395881 0.80 TLR8 (0.52) TLR8ALOX15F2F10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039016-B1 PROCESS FOR PREPARING DRONEDARONE AND SALTS THEREOF GILEAD SCIENCES INC (US) 2017-08-02 EP disclosed
US-9708281-B2 Process for preparation of dronedarone by the use of dibutylaminopropanol reagent SANOFI (FR) 2017-07-18 US disclosed
US-9701654-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2017-07-11 US disclosed
US-9611242-B2 Process for preparation of dronedarone by N-butylation SANOFI (FR) 2017-04-04 US disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
US-20160272606-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP SANOFI (FR) 2016-09-22 US disclosed
US-9382223-B2 Process for preparation of dronedarone by oxidation of a hydroxyl group SANOFI (FR) 2016-07-05 US disclosed
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2016-03-17 US disclosed
US-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT SANOFI (FR) 2016-03-17 US disclosed
US-9249119-B2 Process for the preparation of dronedarone by oxidation of a sulphenyl group SANOFI (FR) 2016-02-02 US disclosed
US-20140114081-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION SANOFI (FR) 2014-04-24 US disclosed
US-20140081035-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY MESYLATION SANOFI (FR) 2014-03-20 US disclosed
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND SANOFI (FR) 2014-01-16 US disclosed
US-8481763-B2 Preparation process of dronedarone and its salts JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-07-09 US disclosed
US-20130072697-A1 PREPARATION PROCESS OF DRONEDARONE AND ITS SALTS JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-03-21 US disclosed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 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 (9 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-20140114081-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION CYP3A43, CYP3A4, CYP2D6 TLR8 4809/4885MAOB 642/4885ALDH1A1 746/4885
US-20130072697-A1 PREPARATION PROCESS OF DRONEDARONE AND ITS SALTS CYP2D6, CYP3A4, CYP2C9 TLR8 4463/4885MAOB 2467/4885ALDH1A1 1423/4885
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, CYP3A43, CYP7A1 TLR8 4711/4885MAOB 438/4885ALDH1A1 352/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 TLR8 1944/4885MAOB 1677/4885ALDH1A1 4625/4885
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 TLR8 4622/4885MAOB 791/4885ALDH1A1 1830/4885
US-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT DHCR7, CYP3A43, CYP7A1 TLR8 4778/4885MAOB 706/4885ALDH1A1 415/4885
US-20160272606-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY OXIDATION OF A HYDROXYL GROUP CYP2D6, CYP2B6, POR TLR8 4680/4885MAOB 264/4885ALDH1A1 259/4885
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND CYP2D6, CYP2B6, CYP11B2 TLR8 4065/4885MAOB 256/4885ALDH1A1 89/4885
US-20140081035-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY MESYLATION CYP2B6, CYP2D6, CYP7A1 TLR8 4689/4885MAOB 244/4885ALDH1A1 407/4885

“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.