SCHEMBL5743533

SCHEMBL5743533

CCCCOc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.47
KMT2A Q03164 1/20 0.47
GFPT1 Q06210 1/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
DHODH Q02127 1/20 0.45
PTPN11 Q06124 2/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMPD1 P17405 3/20 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
SCHEMBL5742428 0.94 GFPT1 (0.45) PLA2G4BKMT2AGFPT1AKR1C2AKR1C1
SCHEMBL5745176 0.94 GFPT1 (0.45) PLA2G4BKMT2AGFPT1AKR1C2AKR1C1
SCHEMBL5746006 0.91 GFPT1 (0.47) KMT2AGFPT1
SCHEMBL5744619 0.91 GFPT1 (0.49) KMT2AGFPT1AKR1C2AKR1C1NR1H4
SCHEMBL5743412 0.89 DPP4 (0.50) KMT2AGFPT1ALDH1A1NPC1RAB9A
SCHEMBL5743882 0.88 GFPT1 (0.49) GFPT1KDM4ENPC1RAB9A
SCHEMBL5745432 0.88 LMNA (0.48) KMT2AGFPT1SMN1; SMN2KDM4E
SCHEMBL5744659 0.86 GFPT1 (0.44) KMT2AGFPT1
SCHEMBL5744647 0.86 GFPT1 (0.44) KMT2AGFPT1AKR1C2AKR1C1NR1H4
SCHEMBL5745876 0.86 GFPT1 (0.51) GFPT1NR1H4DHODHALDH1A1KDM4E

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 PLA2G4B 2582/4885KMT2A 710/4885GFPT1 1/4885

“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.