SCHEMBL5745797

SCHEMBL5745797

COc1cccc(Cc2ncc(C=O)c3cc(OCc4ccccc4)c(OC)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
ABCB1 P08183 5/20 0.46
HTR1A P08908 3/20 0.46
DRD2 P14416 2/20 0.46
MAOB P27338 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
BCHE P06276 3/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
HTT P42858 1/20 0.43
LTB4R Q15722 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 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
SCHEMBL5745105 1.00 ERN1 (0.46) ERN1ABCB1HTR1ADRD2MAOB
SCHEMBL5745438 0.87 PDE10A (0.42) HTR1AADRA1DADRA1AADRA1BCSF1R
SCHEMBL5744687 0.85 ERN1 (0.42) ERN1HTTLTB4RALDH1A1LMNA
SCHEMBL5743598 0.83 DHFR (0.44) ERN1HTTALDH1A1LMNAMAPT
SCHEMBL5743602 0.82 PDE10A (0.41) CSF1RPDGFRBFLT4FLT3HTT
SCHEMBL5743484 0.82 ALDH1A1 (0.42) ADRA1AHTTALDH1A1KIT
SCHEMBL5743136 0.82 VNN1 (0.50) ERN1MAOBHTTALDH1A1MAPT
SCHEMBL5745200 0.80 PDE10A (0.39) ERN1PDGFRBALDH1A1LMNAMAPT
SCHEMBL5746240 0.80 PDE10A (0.39) ERN1
SCHEMBL5745317 0.80 PDE10A (0.42) ERN1

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 ERN1 1253/4885ABCB1 1719/4885HTR1A 3788/4885

“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.