SCHEMBL9893373

SCHEMBL9893373

CCNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
AR P10275 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
MAOB P27338 1/20 0.46
CYP19A1 P11511 2/20 0.46
MAPK1 P28482 1/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
HTR6 P50406 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44

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
SCHEMBL9893444 0.87 MEN1 (0.57) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL9893345 0.86 MAPT (0.50) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL16406415 0.86 MAPT (0.47) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL18638449 0.84 BACE1 (0.48) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL2336280 0.84 BACE1 (0.49) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL30832846 0.83 MEN1 (0.57) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL1663438 0.83 MEN1 (0.57) BACE1L3MBTL1PKMMAPTMEN1
SCHEMBL5579639 0.83 CTSV (0.55) BACE1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6400130 0.83 MAPT (0.50) L3MBTL1MAPTKMT2ANPC1RAB9A
SCHEMBL8693314 0.83 MAPT (0.45) BACE1MAPTMEN1KMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022197-B1 NOVEL TETRA- AND PENTASUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
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
WO-2015007516-A1 NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO 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 BACE1 242/4885L3MBTL1 1913/4885PKM 2104/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 BACE1 241/4885L3MBTL1 1560/4885PKM 1762/4885

“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.