SCHEMBL5744265

SCHEMBL5744265

COc1cccc(C(=O)c2ncc(CC#N)c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFPT1 Q06210 1/20 0.55
▸ PDE10A Q9Y233 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ VNN1 O95497 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL5745096 0.92 GFPT1 (0.66) GFPT1PDE10ALMNAALDH1A1VNN1
SCHEMBL5743440 0.88 GFPT1 (0.58) GFPT1PDE10ALMNAVNN1L3MBTL1
SCHEMBL5743469 0.87 GFPT1 (0.57) GFPT1PDE10AVNN1L3MBTL1PDGFRB
Hydrochloric Acid SCHEMBL5745551 0.86 GFPT1 (0.56) GFPT1PDE10AVNN1L3MBTL1PDGFRB
SCHEMBL1368506 0.86 GFPT1 (0.56) GFPT1PDE10AVNN1L3MBTL1PDGFRB
SCHEMBL1369897 0.85 GFPT1 (0.55) GFPT1PDE10AVNN1L3MBTL1PDGFRB
SCHEMBL5745225 0.81 GFPT1 (0.52) GFPT1LMNAALDH1A1L3MBTL1HTT
Trifluoroacetic Acid SCHEMBL6704167 0.81 GFPT1 (0.59) GFPT1PDE10AVNN1PDGFRBFLT4
Trifluoroacetic Acid SCHEMBL5765564 0.80 GFPT1 (0.57) GFPT1PDE10AVNN1L3MBTL1PDGFRB
SCHEMBL6704170 0.80 GFPT1 (0.57) GFPT1PDE10AVNN1L3MBTL1PDGFRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100540537-C GFAT inhibitors HOFFMANN LA ROCHE (CH) 2009-09-16 — — CN disclosed
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 — — US disclosed
CN-1791581-A Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN LA ROCHE (CH) 2006-06-21 — — CN 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 1/4885PDE10A 2359/4885LMNA 4843/4885

“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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