SCHEMBL6167927

SCHEMBL6167927

CC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
SLC9A1 P19634 1/20 0.49
HTT P42858 2/20 0.48
PDE7A Q13946 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 2/20 0.43
ALDH3A1 P30838 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL30296307 0.88 SLC9A1 (0.55) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL1425030 0.87 MAPT (0.55) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL8513944 0.87 MAPT (0.55) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL1067337 0.86 CXCR2 (0.43) MAPTHTTKMT2AALDH1A1LMNA
SCHEMBL1067339 0.86 CXCR2 (0.43) MAPTHTTKMT2AALDH1A1LMNA
SCHEMBL27796244 0.86 SLC9A1 (0.56) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL863876 0.83 SLC9A1 (0.53) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL404279 0.83 MAPT (0.51) MAPTNPSR1SLC9A1HTTKMT2A
SCHEMBL9232481 0.83 MAPT (0.54) MAPTNPSR1SLC9A1HTTPDE7A
SCHEMBL4652737 0.83 MAPT (0.54) MAPTNPSR1SLC9A1HTTPDE7A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1264825-C Dihydro-benzo [ b ] [1,4] diazepin * -2-one derivatives as mGluR2 antagonists II HOFFMANN LA ROCHE (CH) 2006-07-19 CN disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
CN-1535266-A Dihydro-benzo [b][1,4] diazepin-2-one derivatives as mglur 2 antagonists II - 2004-10-06 CN disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed
EP-0216245-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
CN-86106169-A Quinolonecar boxylic acid derivatives and preparation method thereof 1987-03-18 CN disclosed
EP-0195841-A1 Quinolinecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-10-01 EP disclosed
EP-0195316-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-09-24 EP disclosed
CN-85104693-A The preparation method of quinoline carboxylic acid derivative KYORIN SEIYAKU KK (JP) 1986-09-03 CN disclosed
CN-85109026-A The preparation method and its usage of Carbostyril carboxylic acid derivatives 1986-07-30 CN disclosed
EP-0184035-A1 Quinolonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-11 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 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 (1 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MAPT 1155/4885NPSR1 359/4885SLC9A1 1085/4885

“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.