SCHEMBL5768534

SCHEMBL5768534

COc1cc2c(C(=O)OC(=O)C(F)(F)F)cnc(C(=O)c3cccc(C=CC(=O)N4CCCC4)c3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ APP P05067 5/20 0.45
▸ TRPV1 Q8NER1 1/20 0.42
▸ BCHE P06276 4/20 0.41
▸ MAOA P21397 3/20 0.41
▸ ACHE P22303 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GFPT1 Q06210 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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 SCHEMBL5768528 0.89 APP (0.49) KDM4EKMT2AALDH1A1APPTRPV1
Trifluoroacetic Acid SCHEMBL5768525 0.89 APP (0.49) KDM4EKMT2AALDH1A1APPTRPV1
SCHEMBL5765060 0.88 APP (0.52) KDM4EKMT2AALDH1A1APPTRPV1
SCHEMBL5765062 0.88 APP (0.52) KDM4EKMT2AALDH1A1APPTRPV1
SCHEMBL5809784 0.82 GFPT1 (0.45) KDM4EKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL5768599 0.76 GFPT1 (0.61) KMT2AL3MBTL1MEN1GFPT1
SCHEMBL5763827 0.76 GAA (0.49) KMT2AALDH1A1L3MBTL1MEN1SMN1; SMN2
SCHEMBL6107674 0.75 MAPT (0.45) KDM4EKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL5768004 0.75 GFPT1 (0.49) KDM4EKMT2AL3MBTL1MEN1GFPT1
SCHEMBL6111064 0.73 CSF1R (0.40) GFPT1

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 KDM4E 1245/4885KMT2A 710/4885ALDH1A1 1211/4885

“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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