SCHEMBL9486241

SCHEMBL9486241

Cc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.86
▸ LMNA P02545 3/20 0.86
▸ TDP1 Q9NUW8 3/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ EYA3 Q99504 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CYP2C9 P11712 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SLC22A12 Q96S37 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ POLB P06746 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 3/20 0.46

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
SCHEMBL17364506 0.91 HTT (0.75) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL9486597 0.86 HTT (0.87) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL8624371 0.85 HTT (0.63) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL5711188 0.84 SLC22A12 (0.73) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL9486692 0.84 HTT (0.61) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL9486589 0.82 HTT (0.60) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL16687345 0.82 HTT (0.68) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL14552023 0.81 HTT (0.70) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL9485913 0.81 HTT (0.58) HTTLMNATDP1MAPK1L3MBTL1
SCHEMBL282873 0.80 EYA3 (0.65) HTTLMNATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT SANOFI (FR) 2016-03-17 — — US disclosed
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2016-03-17 — — US disclosed
US-20160009679-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION SANOFI (FR) 2016-01-14 — — US disclosed
US-9221778-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2015-12-29 — — US disclosed
US-9221777-B2 Process for preparation of dronedarone by the use of dibutylaminopropanol reagent SANOFI (FR) 2015-12-29 — — US disclosed
US-9174959-B2 Process for preparation of dronedarone by N-butylation SANOFI (FR) 2015-11-03 — — US disclosed
US-9024046-B2 Reductive amination process for preparation of dronedarone using amine intermediary compound SANOFI (FR) 2015-05-05 — — US disclosed
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2015-01-01 — — US disclosed
US-20140114081-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION SANOFI (FR) 2014-04-24 — — US disclosed
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND SANOFI (FR) 2014-01-16 — — US 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 (6 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 HTT 2817/4885LMNA 172/4885TDP1 3552/4885
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, CYP3A43, CYP7A1 HTT 1941/4885LMNA 991/4885TDP1 4013/4885
US-20160075673-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY THE USE OF DIBUTYLAMINOPROPANOL REAGENT DHCR7, CYP3A43, CYP7A1 HTT 4005/4885LMNA 455/4885TDP1 3966/4885
US-20140018554-A1 REDUCTIVE AMINATION PROCESS FOR PREPARATION OF DRONEDARONE USING AMINE INTERMEDIARY COMPOUND CYP2D6, CYP2B6, CYP11B2 HTT 913/4885LMNA 1155/4885TDP1 3839/4885
US-20160009679-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY N-BUTYLATION CYP3A43, CYP3A4, CYP2D6 HTT 2817/4885LMNA 172/4885TDP1 3552/4885
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, DHCR7, CYP3A4 HTT 1766/4885LMNA 936/4885TDP1 4045/4885

“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.

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