SCHEMBL16363116

SCHEMBL16363116

Cc1oc2ccc(N)cc2c1C(=O)c1ccc(OCC(O)CN(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.52
▸ HTT P42858 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ KDM7A Q6ZMT4 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CDK4 P11802 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL16363113 0.86 RAD52 (0.50) RAD52HTTMAPK1TDP1L3MBTL1
SCHEMBL16363114 0.85 HTT (0.60) RAD52HTTMAPK1TDP1L3MBTL1
SCHEMBL15426085 0.82 KDM7A (0.53) HTTMAPK1TDP1L3MBTL1KDM7A
SCHEMBL14649657 0.82 KDM7A (0.55) HTTMAPK1TDP1L3MBTL1KDM7A
SCHEMBL9485662 0.78 ESR1 (0.56) —
SCHEMBL15426076 0.76 KDM7A (0.49) HTTMAPK1TDP1L3MBTL1KDM7A
SCHEMBL15003161 0.75 HTT (0.57) HTTMAPK1TDP1L3MBTL1CYP2C19
SCHEMBL188449 0.73 HIF1A (0.65) HTTTDP1CDK4HIF1APOLB
Hydrochloric Acid SCHEMBL5396629 0.72 HIF1A (0.68) HTTCDK4HIF1APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5257349 0.72 HIF1A (0.68) HTTCDK4HIF1APOLBSMN1; SMN2

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 RAD52 4296/4885HTT 1941/4885MAPK1 1523/4885
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, DHCR7, CYP3A4 RAD52 4075/4885HTT 1766/4885MAPK1 1415/4885

“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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