SCHEMBL9893318

SCHEMBL9893318

CCN1C(=O)C(C)(C)C(=O)N(CC(C)C)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.45
KCNJ5 P48544 9/20 0.45
KCNJ3 P48549 9/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
ELANE P08246 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
TP53 P04637 1/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
TOP1 P11387 1/20 0.38

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
SCHEMBL9893372 0.92 KCNA5 (0.50) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9893431 0.85 KCNA5 (0.58) KCNA5KCNJ5KCNJ3
SCHEMBL9893250 0.82 MAOB (0.47) HRH3MAOBMAOAL3MBTL1TP53
SCHEMBL9893492 0.80 KCNA5 (0.47) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9893463 0.78 MAOB (0.49) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9893333 0.78 CNR1 (0.39) KCNA5KCNJ5KCNJ3ELANELMNA
SCHEMBL9958197 0.77 KCNA5 (0.44) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9893251 0.76 KCNA5 (0.51) KCNA5KCNJ5KCNJ3
SCHEMBL19532279 0.74 HRH3 (0.48) HRH3MAOBMAOALMNAL3MBTL1
SCHEMBL3519286 0.73 ALDH1A1 (0.46) KCNA5KCNJ5KCNJ3ELANELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940889-B2 Process for producing benzo [b] [1,4] diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-8796447-B2 Process for producing benzo[B][1,4]diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-10 US disclosed
EP-2468733-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-14 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-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND KCNH1, KCNB2, KCNJ2 KCNA5 22/4885KCNJ5 20/4885KCNJ3 51/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 KCNA5 28/4885KCNJ5 35/4885KCNJ3 72/4885

“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.