SCHEMBL5745407

SCHEMBL5745407

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.58
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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) DPP4MEN1KMT2AMAPTKDM4E
SCHEMBL5744663 0.90 DPP4 (0.65) DPP4MEN1KMT2AMAPTKDM4E
SCHEMBL5743886 0.85 DPP4 (0.59) DPP4MEN1KMT2A
SCHEMBL5745762 0.84 DPP4 (0.65) DPP4MAPTKDM4EALDH1A1LMNA
SCHEMBL5767998 0.84 DPP4 (0.57) DPP4MEN1KMT2AMAPTKDM4E
SCHEMBL5744977 0.83 DPP4 (0.70) DPP4MEN1KMT2AMAPTKDM4E
SCHEMBL5743615 0.82 DPP4 (0.50) DPP4
SCHEMBL1368409 0.82 PDE10A (0.44) DPP4
SCHEMBL11003403 0.81 DPP4 (0.70) DPP4KMT2AMAPTKDM4EALDH1A1
SCHEMBL5743426 0.81 DPP4 (0.48) DPP4

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 134/4885MEN1 2407/4885KMT2A 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.