SCHEMBL5742428

SCHEMBL5742428

CCCCOc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OC)c3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
PDE10A Q9Y233 1/20 0.43
VNN1 O95497 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PLA2G4B P0C869 1/20 0.41
MTNR1B P49286 1/20 0.41
PTPN11 Q06124 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL5745176 1.00 GFPT1 (0.45) GFPT1GAAMAPTCYP1A2PDE10A
SCHEMBL5743533 0.94 PLA2G4B (0.47) GFPT1KDM4EPLA2G4BPTPN11AKR1C2
SCHEMBL5744909 0.91 GFPT1 (0.46) GFPT1CYP1A2PDE10AVNN1PDGFRB
SCHEMBL5743882 0.91 GFPT1 (0.49) GFPT1CYP1A2PDE10AVNN1KDM4E
SCHEMBL5745119 0.90 GFPT1 (0.44) GFPT1CYP1A2PDE10AVNN1PDGFRB
SCHEMBL5744347 0.87 VNN1 (0.49) GFPT1CYP1A2VNN1MAPK13MAPK12
SCHEMBL5743070 0.87 VNN1 (0.49) GFPT1CYP1A2VNN1MAPK13MAPK12
SCHEMBL5744619 0.87 GFPT1 (0.49) GFPT1MAPTPDE10AKDM4EAKR1C2
SCHEMBL5744647 0.87 GFPT1 (0.44) GFPT1MAPTKDM4EAKR1C2AKR1C1
SCHEMBL5744740 0.86 GFPT1 (0.45) GFPT1GAAMAPTCYP1A2PDE10A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US claimed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP claimed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US claimed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO claimed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS GFPT1 1/4885GAA 84/4885MAPT 1626/4885

“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.