SCHEMBL5745762

SCHEMBL5745762

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.65
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CALM1 P0DP23 1/20 0.46
TP53 P04637 1/20 0.44

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 0.89 DPP4 (0.65) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5744977 0.89 DPP4 (0.70) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5743886 0.87 DPP4 (0.59) DPP4
SCHEMBL11003403 0.86 DPP4 (0.70) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5743621 0.85 DPP4 (0.60) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5744910 0.85 DPP4 (0.60) DPP4KDM4ESMN1; SMN2HTT
SCHEMBL5745407 0.84 DPP4 (0.58) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5767998 0.83 DPP4 (0.57) DPP4MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5743641 0.81 DPP4 (0.66) DPP4MAPTLMNATP53
SCHEMBL5745206 0.80 DPP4 (0.55) DPP4MAPTKDM4ESMN1; SMN2LMNA

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.