SCHEMBL6438482

SCHEMBL6438482

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPC1 P48995 1/20 0.46
TRPC3 Q13507 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
STIM2 Q9P246 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CSNK2A1 P68400 2/20 0.44
PARP1 P09874 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
SCHEMBL6438695 0.89 L3MBTL1 (0.47) NR1H4L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL14564366 0.89 ALDH1A1 (0.48) L3MBTL1ALDH1A1KDM4EMEN1GAA
SCHEMBL6437649 0.88 NR1H4 (0.45) NR1H4L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL12876854 0.87 ATP4A (0.49) NR1H4L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL694852 0.87 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4EMEN1GAA
SCHEMBL4408696 0.86 KDM4E (0.59) NR1H4L3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL12942140 0.85 L3MBTL1 (0.61) L3MBTL1ALDH1A1KDM4EMEN1GAA
SCHEMBL3919689 0.85 SMN1; SMN2 (0.57) L3MBTL1ALDH1A1KDM4EMEN1GAA
SCHEMBL30194268 0.84 ALDH1A1 (0.57) NR1H4ALDH1A1KDM4EMEN1GAA
SCHEMBL26967580 0.83 NR1H4 (0.48) NR1H4L3MBTL1ALDH1A1KDM4EMEN1

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 535/4885L3MBTL1 3136/4885ALDH1A1 422/4885

“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.