SCHEMBL9893372

SCHEMBL9893372

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.50
KCNJ5 P48544 7/20 0.50
KCNJ3 P48549 7/20 0.50
ELANE P08246 1/20 0.47
MAOB P27338 6/20 0.46
MAOA P21397 5/20 0.46
TP53 P04637 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
TOP1 P11387 1/20 0.44
ALOX5 P09917 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL9893431 0.93 KCNA5 (0.58) KCNA5KCNJ5KCNJ3
SCHEMBL9893318 0.92 KCNA5 (0.45) KCNA5KCNJ5KCNJ3ELANEMAOB
SCHEMBL9893463 0.84 MAOB (0.49) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9958197 0.83 KCNA5 (0.44) KCNA5KCNJ5KCNJ3MAOBMAOA
SCHEMBL9893251 0.83 KCNA5 (0.51) KCNA5KCNJ5KCNJ3
SCHEMBL9893492 0.79 KCNA5 (0.47) KCNA5KCNJ5KCNJ3ELANEMAOB
SCHEMBL3519286 0.79 ALDH1A1 (0.46) KCNA5KCNJ5KCNJ3ELANE
SCHEMBL9893429 0.77 MEN1 (0.44) MAOBMAOATP53TOP1ALOX5
SCHEMBL9750285 0.76 HRH3 (0.43) MAOBMAOATP53SIRT2SIRT1
SCHEMBL9893322 0.76 MEN1 (0.46) KCNA5KCNJ5KCNJ3MAOBMAOA

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.