SCHEMBL5745348

SCHEMBL5745348

CCOc1cccc(C(=O)c2ncc(C=O)c3cc(OCCCOC(C)=O)c(OC)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.43
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
ZAP70 P43403 1/20 0.37
KAT6A Q92794 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL5742296 0.94 GFPT1 (0.45) GFPT1KMT2AALDH1A1MEN1MAPT
SCHEMBL5743055 0.90 GFPT1 (0.45) GFPT1RAF1BRAFZAP70KAT6A
SCHEMBL5745700 0.90 GFPT1 (0.44) GFPT1RAF1BRAFZAP70KAT6A
SCHEMBL5745167 0.89 GFPT1 (0.46) GFPT1RAF1BRAFZAP70KAT6A
SCHEMBL5744649 0.89 GFPT1 (0.45) GFPT1RAF1BRAFZAP70KAT6A
SCHEMBL5746837 0.89 GFPT1 (0.45) GFPT1RAF1BRAFZAP70KAT6A
SCHEMBL5744472 0.87 GFPT1 (0.42) GFPT1RAF1BRAFKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5745471 0.86 GFPT1 (0.41) GFPT1RAF1BRAFKMT2AALDH1A1
SCHEMBL5744828 0.86 GAA (0.47) GFPT1ZAP70KDM4EMAPTMCHR1
SCHEMBL5766291 0.85 HRH3 (0.45) KMT2AALDH1A1KDM4E

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 4 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 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 1/4885RAF1 794/4885BRAF 950/4885

“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.