SCHEMBL16363113

SCHEMBL16363113

CNc1ccc2oc(C)c(C(=O)c3ccc(OCC(O)CN(C)C)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.50
▸ CDK4 P11802 7/20 0.47
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CDK2 P24941 3/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ KDM7A Q6ZMT4 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ TBXA2R P21731 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
SCHEMBL16363116 0.86 RAD52 (0.52) RAD52CDK4MAPK1HTTTDP1
SCHEMBL16363118 0.83 ESR1 (0.51) KDM7AESR1PGRCHRM2HTR1A
SCHEMBL16363114 0.83 HTT (0.60) RAD52CDK4MAPTCDK2MAPK1
SCHEMBL16363112 0.76 HTT (0.54) TP53MAPTMAPK1HTTTDP1
SCHEMBL16363117 0.72 ESR1 (0.66) TP53MAPTESR1PGRCHRM2
SCHEMBL15613890 0.72 ESR1 (0.70) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL14649659 0.71 ESR1 (0.70) TP53MAPTESR1PGRCHRM2
SCHEMBL6552266 0.70 ABCB1 (0.76) CDK4MAPTMAPK1HTTABCB1
SCHEMBL15426048 0.70 KDM7A (0.53) MAPK1HTTTDP1L3MBTL1KDM7A
Hydrochloric Acid SCHEMBL22228312 0.69 ABCB1 (0.74) CDK4MAPTMAPK1HTTABCB1

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 4296/4885CDK4 4239/4885TP53 4605/4885
US-20150005515-A1 PROCESS FOR PREPARATION OF DRONEDARONE BY REMOVAL OF HYDROXYL GROUP CYP2C9, DHCR7, CYP3A4 RAD52 4075/4885CDK4 4134/4885TP53 4468/4885

“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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