SCHEMBL5745225

SCHEMBL5745225

COc1cccc(C(=O)c2ncc(CN3CCCC3)c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.52
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MITF O75030 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 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
SCHEMBL5743440 0.84 GFPT1 (0.58) GFPT1LMNAL3MBTL1HTT
SCHEMBL5743469 0.83 GFPT1 (0.57) GFPT1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL5745551 0.82 GFPT1 (0.56) GFPT1L3MBTL1
SCHEMBL1368506 0.82 GFPT1 (0.56) GFPT1L3MBTL1
SCHEMBL1369897 0.81 GFPT1 (0.55) GFPT1L3MBTL1
SCHEMBL5744265 0.81 GFPT1 (0.55) GFPT1LMNAL3MBTL1HTTALDH1A1
SCHEMBL5764806 0.81 NPSR1 (0.49) KMT2ANPSR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5745157 0.80 NPSR1 (0.51) KMT2ANPSR1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL6704167 0.78 GFPT1 (0.59) GFPT1
SCHEMBL6704170 0.77 GFPT1 (0.57) GFPT1L3MBTL1

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 GFPT1 1/4885KMT2A 710/4885MEN1 2407/4885

“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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