SCHEMBL5744564

SCHEMBL5744564

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)N4CCN(C)CC4)c3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ HTR1A P08908 3/20 0.46
▸ HTR1D P28221 3/20 0.46
▸ HTR1B P28222 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CBX7 O95931 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GFPT1 Q06210 1/20 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
Trifluoroacetic Acid SCHEMBL5763821 0.96 GAA (0.51) GAAHTR1AHTR1DHTR1BPOLB
SCHEMBL5765120 0.93 MEN1 (0.45) GAAPOLBL3MBTL1TDP1MEN1
SCHEMBL5766705 0.91 MAPK1 (0.51) MEN1MAPK1KMT2AALDH1A1MAPT
SCHEMBL5744131 0.90 MAPK1 (0.43) GAAMEN1MAPK1KMT2ACBX7
SCHEMBL5745153 0.90 FKBP1A (0.48) GAAPOLBL3MBTL1MAPK1KMT2A
SCHEMBL5767169 0.89 ALDH1A1 (0.54) GAATDP1MEN1MAPK1KMT2A
Trifluoroacetic Acid SCHEMBL5809778 0.89 GFPT1 (0.46) GAAPOLBL3MBTL1TDP1MEN1
SCHEMBL5763827 0.88 GAA (0.49) GAAHTR1AHTR1DHTR1BPOLB
Trifluoroacetic Acid SCHEMBL6107669 0.87 FKBP1A (0.45) GAAPOLBMAPK1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5767572 0.86 ALDH1A1 (0.50) GAATDP1MEN1MAPK1KMT2A

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 GAA 84/4885HTR1A 3788/4885HTR1D 3912/4885

“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.

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