SCHEMBL5745244

SCHEMBL5745244

CCOC(=O)c1cnc(Cc2cc(C)cc(OC)c2)c2cc(OC)c(OC)cc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.66
MAPT P10636 3/20 0.44
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5744663 0.86 DPP4 (0.65) DPP4MAPTKMT2ASMN1; SMN2
SCHEMBL11003403 0.83 DPP4 (0.70) DPP4MAPTKMT2APOLBSMN1; SMN2
SCHEMBL5744977 0.83 DPP4 (0.70) DPP4MAPTKMT2ASMN1; SMN2
SCHEMBL5743621 0.80 DPP4 (0.60) DPP4MAPTKMT2ASMN1; SMN2
SCHEMBL3361845 0.80 DPP4 (1.00) DPP4MAPT
SCHEMBL5743886 0.79 DPP4 (0.59) DPP4KMT2A
SCHEMBL5745414 0.79 DPP4 (0.56) DPP4MAPTKMT2A
SCHEMBL5745762 0.79 DPP4 (0.65) DPP4MAPTSMN1; SMN2
SCHEMBL5745407 0.79 DPP4 (0.58) DPP4MAPTKMT2ASMN1; SMN2
SCHEMBL5767998 0.78 DPP4 (0.57) DPP4MAPTKMT2ASMN1; SMN2

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 1626/4885KMT2A 710/4885

“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.