SCHEMBL5744663

SCHEMBL5744663

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.65
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CSNK1D P48730 1/20 0.47

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
SCHEMBL5743621 0.92 DPP4 (0.60) DPP4MAPTKDM4EALDH1A1KMT2A
SCHEMBL5743886 0.91 DPP4 (0.59) DPP4KMT2AMEN1
SCHEMBL5745407 0.90 DPP4 (0.58) DPP4MAPTKDM4EALDH1A1KMT2A
SCHEMBL5745762 0.89 DPP4 (0.65) DPP4MAPTKDM4EALDH1A1TP53
SCHEMBL5767998 0.89 DPP4 (0.57) DPP4MAPTKDM4EALDH1A1KMT2A
SCHEMBL5744977 0.89 DPP4 (0.70) DPP4MAPTKDM4EALDH1A1KMT2A
SCHEMBL11003403 0.86 DPP4 (0.70) DPP4MAPTKDM4EALDH1A1KMT2A
SCHEMBL5745244 0.86 DPP4 (0.66) DPP4MAPTKMT2ASMN1; SMN2
SCHEMBL5744910 0.85 DPP4 (0.60) DPP4KDM4EKMT2ASMN1; SMN2
SCHEMBL5743641 0.81 DPP4 (0.66) DPP4MAPTKMT2ATP53MEN1

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 134/4885MAPT 1626/4885KDM4E 1245/4885

“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.