SCHEMBL5744131

SCHEMBL5744131

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)N4CCSCC4)c3)c2cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CBX7 O95931 1/20 0.42
▸ GFPT1 Q06210 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ IDE P14735 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL5765120 0.92 MEN1 (0.45) MAPK1MEN1KMT2AGAACBX7
SCHEMBL5744564 0.90 GAA (0.55) MAPK1MEN1KMT2AGAACBX7
SCHEMBL5745153 0.90 FKBP1A (0.48) MAPK1KMT2AGAAALDH1A1MAPT
SCHEMBL5766705 0.88 MAPK1 (0.51) MAPK1MEN1KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5809778 0.88 GFPT1 (0.46) MAPK1MEN1KMT2AGAACBX7
Trifluoroacetic Acid SCHEMBL5763821 0.87 GAA (0.51) MAPK1MEN1KMT2AGAACBX7
SCHEMBL5767169 0.87 ALDH1A1 (0.54) MAPK1MEN1KMT2AGAAALDH1A1
Trifluoroacetic Acid SCHEMBL6107669 0.86 FKBP1A (0.45) MAPK1KMT2AGAAGFPT1ALDH1A1
SCHEMBL5745432 0.84 LMNA (0.48) MAPK1MEN1KMT2AGFPT1HTT
Trifluoroacetic Acid SCHEMBL5767572 0.83 ALDH1A1 (0.50) MAPK1MEN1KMT2AGAAGFPT1

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 MAPK1 1889/4885MEN1 2407/4885KMT2A 710/4885

“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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