SCHEMBL5744347

SCHEMBL5744347

COc1cccc(C(=O)c2ncc(C(=O)O)c3cc(OC)c(OCc4ccccc4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.47
SRD5A2 P31213 2/20 0.47
NR4A2 P43354 1/20 0.46
GFPT1 Q06210 1/20 0.46
MAOB P27338 2/20 0.45
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5743070 1.00 VNN1 (0.49) VNN1MRGPRX4SRD5A2NR4A2GFPT1
SCHEMBL5743882 0.92 GFPT1 (0.49) VNN1GFPT1CYP1A2RAB9ANPC1
SCHEMBL5744909 0.88 GFPT1 (0.46) VNN1GFPT1CYP1A2MAPK13MAPK12
SCHEMBL5744740 0.87 GFPT1 (0.45) VNN1GFPT1CYP1A2MAPK13MAPK12
SCHEMBL5745176 0.87 GFPT1 (0.45) VNN1GFPT1CYP1A2MAPK13MAPK12
SCHEMBL5742428 0.87 GFPT1 (0.45) VNN1GFPT1CYP1A2MAPK13MAPK12
SCHEMBL5743136 0.86 VNN1 (0.50) VNN1MRGPRX4SRD5A2NR4A2GFPT1
SCHEMBL5744619 0.85 GFPT1 (0.49) GFPT1SMN1; SMN2HPGD
SCHEMBL5745119 0.85 GFPT1 (0.44) VNN1GFPT1CYP1A2RAB9ANPC1
SCHEMBL5745432 0.85 LMNA (0.48) VNN1GFPT1CYP1A2SMN1; SMN2PKM

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 VNN1 2430/4885MRGPRX4 3234/4885SRD5A2 2284/4885

“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.