SCHEMBL5743886

SCHEMBL5743886

CCOC(=O)c1cnc(Cc2cccc(OCc3ccccc3)c2)c2cc(OC)c(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.59
NMT1 P30419 4/20 0.52
NMT2 O60551 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL5744663 0.91 DPP4 (0.65) DPP4MEN1KMT2A
SCHEMBL5744977 0.89 DPP4 (0.70) DPP4MEN1KMT2A
SCHEMBL5743621 0.87 DPP4 (0.60) DPP4MEN1KMT2A
SCHEMBL5745762 0.87 DPP4 (0.65) DPP4
SCHEMBL5767998 0.87 DPP4 (0.57) DPP4MEN1KMT2A
SCHEMBL5745407 0.85 DPP4 (0.58) DPP4MEN1KMT2A
SCHEMBL11003403 0.82 DPP4 (0.70) DPP4KMT2A
SCHEMBL5744910 0.81 DPP4 (0.60) DPP4KMT2A
SCHEMBL5745244 0.79 DPP4 (0.66) DPP4KMT2A
SCHEMBL5743641 0.77 DPP4 (0.66) DPP4MEN1KMT2A

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 DPP4 134/4885NMT1 38/4885NMT2 25/4885

“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.