SCHEMBL5744882

SCHEMBL5744882

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OC(C)(C)C(=O)N4CCCC4)c3)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 2/20 0.42
▸ GFPT1 Q06210 1/20 0.42
▸ LPAR5 Q9H1C0 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL5765120 0.84 MEN1 (0.45) GFPT1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5745305 0.83 GFPT1 (0.48) MAPK7GFPT1KMT2ASMN1; SMN2PDE10A
Trifluoroacetic Acid SCHEMBL5809778 0.82 GFPT1 (0.46) MAPK7GFPT1MAPTKMT2ASMN1; SMN2
SCHEMBL5743882 0.82 GFPT1 (0.49) GFPT1PDE10AAPAF1NSD2CASP3
SCHEMBL5764806 0.79 NPSR1 (0.49) KMT2AALDH1A1NPSR1PDGFRB
Hydrochloric Acid SCHEMBL5745157 0.78 NPSR1 (0.51) KMT2AALDH1A1NPSR1PDGFRB
SCHEMBL5744593 0.78 GFPT1 (0.60) GFPT1LPAR5KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5744619 0.78 GFPT1 (0.49) GFPT1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5765060 0.78 APP (0.52) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL5765062 0.78 APP (0.52) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MEN1

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 8 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 claimed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 — — EP claimed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 — — US claimed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — WO claimed
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 MAPK7 2022/4885GFPT1 1/4885LPAR5 4479/4885

“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.

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