SCHEMBL1239340

SCHEMBL1239340

CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN3C(=O)C(=O)c4ccccc43)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.52
KCNJ5 P48544 13/20 0.52
KCNJ3 P48549 13/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
CES1 P23141 2/20 0.46
CDC25A P30304 1/20 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
SCHEMBL3516957 0.90 KCNA5 (0.55) KCNA5KCNJ5KCNJ3MAPTL3MBTL1
SCHEMBL1239786 0.82 KCNA5 (0.51) KCNA5KCNJ5KCNJ3
SCHEMBL3516632 0.81 KCNA5 (0.58) KCNA5KCNJ5KCNJ3
SCHEMBL3517246 0.80 KCNA5 (0.54) KCNA5KCNJ5KCNJ3
SCHEMBL3515653 0.80 KCNA5 (0.54) KCNA5KCNJ5KCNJ3
SCHEMBL12080376 0.79 KCNA5 (0.49) KCNA5KCNJ5KCNJ3
SCHEMBL3519033 0.79 KCNA5 (0.54) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL3519870 0.79 KCNA5 (0.54) KCNA5KCNJ5KCNJ3
SCHEMBL3519222 0.79 KCNA5 (0.53) KCNA5KCNJ5KCNJ3
SCHEMBL12080653 0.79 KCNA5 (0.55) KCNA5KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
US-8822453-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-2727917-A1 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-07 EP disclosed
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 WO 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 (3 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-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885KCNJ5 17/4885KCNJ3 42/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885KCNJ5 17/4885KCNJ3 42/4885
US-20120225866-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 KCNA5 9/4885KCNJ5 17/4885KCNJ3 42/4885

“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.