SCHEMBL6437649

SCHEMBL6437649

CCOC(=O)c1nc(-c2cccc(C(=O)CC(=O)O)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP1 P09874 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6438482 0.88 NR1H4 (0.54) NR1H4MAPTKMT2AMEN1ALDH1A1
SCHEMBL6438695 0.85 L3MBTL1 (0.47) NR1H4MAPTKMT2AMEN1ALDH1A1
SCHEMBL14564366 0.84 ALDH1A1 (0.48) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12876854 0.83 ATP4A (0.49) NR1H4MAPTKMT2AMEN1ALDH1A1
SCHEMBL694852 0.83 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL12942140 0.81 L3MBTL1 (0.61) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3919689 0.81 SMN1; SMN2 (0.57) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL30194268 0.80 ALDH1A1 (0.57) NR1H4MAPTKMT2AMEN1ALDH1A1
SCHEMBL19626601 0.79 TSHR (0.54) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL30030772 0.79 NR1H4 (0.48) NR1H4MAPTKMT2AMEN1ALDH1A1

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
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
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 NR1H4 535/4885MAPT 1009/4885KMT2A 1451/4885

“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.