SCHEMBL5745161

SCHEMBL5745161

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)NC(C)c4ccccc4)c3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ GPR139 Q6DWJ6 6/20 0.47
▸ GFPT1 Q06210 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL5745391 0.91 GFPT1 (0.49) KMT2AMEN1GFPT1POLB
SCHEMBL5745432 0.84 LMNA (0.48) KMT2AMEN1GFPT1L3MBTL1HTT
SCHEMBL5745283 0.83 PTPN1 (0.49) KMT2AMEN1GFPT1ALDH1A1MAPT
SCHEMBL5745876 0.82 GFPT1 (0.51) GFPT1L3MBTL1ALDH1A1MAPTHTT
SCHEMBL5744593 0.81 GFPT1 (0.60) KMT2AMEN1GFPT1L3MBTL1ALDH1A1
SCHEMBL5744619 0.81 GFPT1 (0.49) KMT2AMEN1GFPT1L3MBTL1ALDH1A1
SCHEMBL5743882 0.81 GFPT1 (0.49) GFPT1L3MBTL1PARP1KDM4EPOLB
SCHEMBL5746001 0.80 GFPT1 (0.52) KMT2AMEN1GFPT1L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL5767994 0.80 GFPT1 (0.51) GFPT1L3MBTL1HTTKDM4EPDE10A
SCHEMBL5745909 0.80 GFPT1 (0.52) KMT2AMEN1GFPT1L3MBTL1MAPT

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 KMT2A 710/4885MEN1 2407/4885GPR139 1161/4885

“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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