SCHEMBL5745200

SCHEMBL5745200

CCOCCOc1cc2c(C=O)cnc(Cc3cccc(OCC)c3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.39
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
EHMT2 Q96KQ7 1/20 0.38
DHFR P00374 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDGFRB P09619 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ERN1 O75460 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL5746240 0.90 PDE10A (0.39) PDE10APDE3BPDE3ADHFRERN1
SCHEMBL5745317 0.90 PDE10A (0.42) PDE10APDE3BPDE3AERN1RAF1
SCHEMBL5744790 0.90 PDE10A (0.38) PDE10APDE3BPDE3ADHFRERN1
SCHEMBL5742574 0.86 PDE10A (0.40) PDE10APDE3BPDE3AERN1RAF1
SCHEMBL5744723 0.85 DHFR (0.38) PDE10APDE3BPDE3ADHFRALDH1A1
SCHEMBL5745438 0.85 PDE10A (0.42) PDE10APDE3BPDE3ADHFRPDGFRB
SCHEMBL5746367 0.85 DPP4 (0.41) PDE10APDE3BPDE3ADHFRMEN1
SCHEMBL5746837 0.80 GFPT1 (0.45) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL5745797 0.80 ERN1 (0.46) ALDH1A1PDGFRBLMNAMAPTERN1
SCHEMBL5745105 0.80 ERN1 (0.46) ALDH1A1PDGFRBLMNAMAPTERN1

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 PDE10A 2359/4885PDE3B 1541/4885PDE3A 1618/4885

“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.