SCHEMBL9893537

SCHEMBL9893537

CN1C(=O)C(C)(C)C(=O)Nc2c(OCc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
CREBBP Q92793 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR6 P50406 1/20 0.43
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SNRNP200 O75643 1/20 0.38
HTT P42858 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
SCHEMBL9893469 0.77 ELANE (0.43) BRD4CREBBPMAPTALDH1A1HPGD
SCHEMBL9893697 0.76 MAOB (0.51) CREBBPL3MBTL1HTR6HTR1AMMP2
SCHEMBL11149823 0.71 MAPT (0.47) BRD4MAPTALDH1A1HPGDMAPK1
SCHEMBL25721962 0.69 GRM5 (0.46) BRD4CREBBPMAPTALDH1A1HPGD
SCHEMBL25773788 0.68 HTT (0.48) BRD4MAPTALDH1A1HPGDMAPK1
SCHEMBL15128187 0.66 MAPT (0.47) BRD4MAPTALDH1A1HPGDMAPK1
SCHEMBL30225507 0.66 MAPT (0.47) BRD4MAPTALDH1A1HPGDMAPK1
SCHEMBL9591238 0.66 LMNA (0.50) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL9893431 0.65 KCNA5 (0.58)
SCHEMBL7211895 0.65 BRD4 (0.53) BRD4CREBBPMAPTALDH1A1HPGD

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 BRD4 144/4885CREBBP 1804/4885MAPT 4600/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 BRD4 137/4885CREBBP 1388/4885MAPT 4472/4885

“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.