SCHEMBL9893250

SCHEMBL9893250

CC(C)CN1C(=O)C(C)(C)C(=O)Nc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
MAOA P21397 6/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
CREBBP Q92793 1/20 0.42
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
ADAM17 P78536 2/20 0.39
TP53 P04637 1/20 0.39
IP6K1 Q92551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38
PPARG P37231 1/20 0.38
RIN1 Q13671 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL9893463 0.88 MAOB (0.49) MAOBMAOAMMP2MMP13CREBBP
SCHEMBL9893697 0.83 MAOB (0.51) MAOBMAOAHRH3MMP2MMP13
SCHEMBL9893318 0.82 KCNA5 (0.45) MAOBMAOAHRH3TP53L3MBTL1
SCHEMBL4718093 0.75 MAOB (0.75) MAOBMAOAMMP2MMP13CREBBP
SCHEMBL9893543 0.73 MAOB (0.47) MAOBMAOAHRH3MMP2MMP13
SCHEMBL9893372 0.72 KCNA5 (0.50) MAOBMAOAMMP2MMP13TP53
SCHEMBL9893492 0.72 KCNA5 (0.47) MAOBMAOA
SCHEMBL9893431 0.69 KCNA5 (0.58)
SCHEMBL9893281 0.68 CREBBP (0.57) MAOBMAOAHRH3CREBBP
SCHEMBL9958197 0.67 KCNA5 (0.44) MAOBMAOAMMP2MMP13TP53

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 MAOB 287/4885MAOA 660/4885HRH3 23/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 MAOB 252/4885MAOA 727/4885HRH3 22/4885

“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.