SCHEMBL5744977

SCHEMBL5744977

CCOC(=O)c1cnc(Cc2ccccc2)c2cc(OC)c(OC)cc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.70
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDGFRB P09619 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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) DPP4MAPTLMNATP53MEN1
SCHEMBL5745762 0.89 DPP4 (0.65) DPP4MAPTLMNATP53NPSR1
SCHEMBL5743886 0.89 DPP4 (0.59) DPP4MEN1KMT2A
SCHEMBL11003403 0.88 DPP4 (0.70) DPP4MAPTLMNATP53KMT2A
SCHEMBL27655116 0.86 DPP4 (0.50) DPP4MAPTMEN1KMT2ANPSR1
SCHEMBL5744910 0.85 DPP4 (0.60) DPP4KMT2AKDM4ESMN1; SMN2
SCHEMBL5743621 0.85 DPP4 (0.60) DPP4MAPTLMNATP53MEN1
SCHEMBL5745407 0.83 DPP4 (0.58) DPP4MAPTLMNATP53MEN1
SCHEMBL5743641 0.83 DPP4 (0.66) DPP4MAPTLMNATP53MEN1
SCHEMBL5745244 0.83 DPP4 (0.66) 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 1626/4885LMNA 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.