SCHEMBL5745387

SCHEMBL5745387

COc1cc2c(C(=O)O)cnc(C(=O)c3cccc(OCC(=O)N(C)Cc4ccccc4)c3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ VNN1 O95497 1/20 0.42
▸ GFPT1 Q06210 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 2/20 0.39

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
Trifluoroacetic Acid SCHEMBL5793358 0.96 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL5744453 0.90 GFPT1 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL5745432 0.85 LMNA (0.48) SMN1; SMN2MAPK1L3MBTL1KMT2AMEN1
SCHEMBL5744619 0.84 GFPT1 (0.49) SMN1; SMN2MAPK1L3MBTL1KMT2AMEN1
SCHEMBL5744347 0.82 VNN1 (0.49) RAB9ANPC1SMN1; SMN2VNN1GFPT1
SCHEMBL5743070 0.82 VNN1 (0.49) RAB9ANPC1SMN1; SMN2VNN1GFPT1
SCHEMBL5743882 0.82 GFPT1 (0.49) RAB9ANPC1L3MBTL1VNN1GFPT1
SCHEMBL5745283 0.82 PTPN1 (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5767994 0.81 GFPT1 (0.51) MAPK1L3MBTL1VNN1GFPT1
SCHEMBL5746006 0.80 GFPT1 (0.47) MAPK1L3MBTL1KMT2AVNN1GFPT1

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 RAB9A 2667/4885NPC1 2334/4885SMN1; SMN2 3471/4885

“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.

Send feedback