SCHEMBL16363115

SCHEMBL16363115

Cc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCC2CO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ LMNA P02545 4/20 0.58
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM7A Q6ZMT4 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL16687345 0.84 HTT (0.68) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486597 0.82 HTT (0.87) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL10734179 0.81 SRD5A2 (0.52) HTTTDP1L3MBTL1LMNAMAPT
SCHEMBL15426073 0.80 HTT (0.63) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL17364506 0.80 HTT (0.75) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486241 0.79 HTT (0.86) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9486082 0.78 HTT (0.60) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL16363114 0.78 HTT (0.60) HTTMAPK1TDP1L3MBTL1LMNA
SCHEMBL9737497 0.74 ALDH1A1 (0.61) TDP1LMNAPOLBMAPTGAA
SCHEMBL517975 0.74 ALDH1A1 (0.61) TDP1LMNAPOLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701654-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2017-07-11 — — US disclosed
US-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2016-03-17 — — US disclosed
US-9221778-B2 Process for preparation of dronedarone by removal of hydroxyl group SANOFI (FR) 2015-12-29 — — US disclosed
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP SANOFI (FR) 2015-01-01 — — 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 (2 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-20160075674-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, CYP3A43, CYP7A1 HTT 1941/4885MAPK1 1523/4885TDP1 4013/4885
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, DHCR7, CYP3A4 HTT 1766/4885MAPK1 1415/4885TDP1 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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