SCHEMBL5746367

SCHEMBL5746367

CCOc1cccc(Cc2ncc(C=O)c3cc(O)c(OC)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
ERN1 O75460 4/20 0.41
DHFR P00374 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CSNK1D P48730 1/20 0.38
FYN P06241 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
EGFR P00533 2/20 0.36
PDE10A Q9Y233 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5744687 0.93 ERN1 (0.42) DPP4ERN1DHFRMTNR1AMTNR1B
SCHEMBL5745317 0.87 PDE10A (0.42) ERN1RAF1BRAFPDE10APDE3B
SCHEMBL5744723 0.86 DHFR (0.38) ERN1DHFRSMN1; SMN2CHRM2CHRM1
SCHEMBL5746240 0.85 PDE10A (0.39) ERN1DHFRCHRM2CHRM1CHRM3
SCHEMBL5745200 0.85 PDE10A (0.39) ERN1DHFRCHRM2CHRM1CHRM3
SCHEMBL5744790 0.84 PDE10A (0.38) ERN1DHFRCHRM2CHRM1CHRM3
SCHEMBL5742574 0.83 PDE10A (0.40) DPP4ERN1SMN1; SMN2CSNK1DRAF1
SCHEMBL5743598 0.80 DHFR (0.44) ERN1DHFRSMN1; SMN2MTNR1AMTNR1B
SCHEMBL5745438 0.80 PDE10A (0.42) DHFRMTNR1AMTNR1BEGFRPDE10A
SCHEMBL5745797 0.78 ERN1 (0.46) ERN1SMN1; SMN2ALDH1A1MAPT

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 134/4885ERN1 1253/4885DHFR 674/4885

“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.