SCHEMBL9893261

SCHEMBL9893261

CCCCN1C(=O)C(C)(C)C(=O)N(C)c2cc(O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.38
KCNA5 P22460 6/20 0.37
KCNJ5 P48544 6/20 0.37
KCNJ3 P48549 6/20 0.37
MAPT P10636 5/20 0.36
TP53 P04637 4/20 0.36
CNR1 P21554 2/20 0.36
PKM P14618 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3518167 0.92 KCNA5 (0.40) GAAKCNA5KCNJ5KCNJ3CNR1
SCHEMBL3516991 0.87 CNR1 (0.42) GAAKCNA5KCNJ5KCNJ3CNR1
SCHEMBL3519760 0.83 SCN9A (0.37) MEN1KMT2AGAACNR1PKM
SCHEMBL3515695 0.82 PKM (0.45) MEN1KMT2AGAAMAPTTP53
SCHEMBL3519277 0.82 CNR1 (0.42) KMT2AGAAKCNA5KCNJ5KCNJ3
SCHEMBL3515688 0.81 EP300 (0.37) MEN1KMT2AGAAKCNA5KCNJ5
SCHEMBL3521032 0.78 CNR1 (0.46) MEN1KMT2AGAAKCNA5KCNJ5
SCHEMBL9893296 0.78 GAA (0.46) MEN1KMT2AGAAKCNA5KCNJ5
SCHEMBL9893251 0.78 KCNA5 (0.51) KCNA5KCNJ5KCNJ3
SCHEMBL3516032 0.74 GAA (0.41) MEN1KMT2AGAAKCNA5KCNJ5

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 MEN1 768/4885KMT2A 1613/4885GAA 3852/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 MEN1 657/4885KMT2A 1399/4885GAA 4003/4885

“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.