SCHEMBL6433126

SCHEMBL6433126

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 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
SLC9A1 P19634 1/20 0.43
PKM P14618 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH3A1 P30838 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
SCHEMBL11795126 0.81 NPSR1 (0.52) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL8767277 0.80 MAPT (0.51) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL11597459 0.78 MAPT (0.47) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL9505815 0.78 POLB (0.55) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL11692881 0.77 MAPT (0.48) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL18306153 0.77 MAPT (0.48) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL14903460 0.76 RECQL (0.57) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL29725300 0.76 RECQL (0.57) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL11595305 0.75 MAPT (0.47) MAPTNPSR1HTTKMT2AALDH1A1
SCHEMBL5163517 0.75 MAPT (0.64) MAPTNPSR1HTTKMT2AALDH1A1

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
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 MAPT 1009/4885NPSR1 290/4885HTT 1549/4885

“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.