SCHEMBL6437289

SCHEMBL6437289

CCOC(=O)c1ncoc1-c1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.53
GSK3B P49841 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.44
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
PTPN11 Q06124 1/20 0.43
TARBP2 Q15633 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 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
SCHEMBL6434567 0.89 FBP1 (0.49) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL6437536 0.89 FBP1 (0.49) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL1167542 0.86 FBP1 (0.47) FBP1GSK3BADORA2AKDM4EKMT2A
SCHEMBL5727790 0.86 FBP1 (0.69) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL6439226 0.84 TP53 (0.46) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL9586836 0.84 FBP1 (0.51) FBP1GSK3BALDH1A1MAPTADORA2A
SCHEMBL9587212 0.84 ALOX5 (0.52) FBP1ALDH1A1MAPTTARBP2CYP2C9
SCHEMBL30740878 0.82 FBP1 (0.49) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL28554485 0.79 FBP1 (0.51) FBP1GSK3BALDH1A1MAPTNPC1
SCHEMBL28550480 0.78 TARBP2 (0.55) FBP1GSK3BALDH1A1NPC1RAB9A

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 FBP1 1088/4885GSK3B 1356/4885ALDH1A1 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.