SCHEMBL5745496

SCHEMBL5745496

COc1ccc(C=NCC(OC)OC)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.60
ALDH1A1 P00352 6/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 3/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.53
UBE2N P61088 1/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL5745493 1.00 AMY1A (0.60) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL5744073 0.95 ALDH1A1 (0.60) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL5744070 0.95 ALDH1A1 (0.60) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL16764093 0.90 AMY1A (0.56) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL16764095 0.90 AMY1A (0.56) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL16764892 0.86 ALDH1A1 (0.57) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL16764895 0.86 ALDH1A1 (0.57) AMY1AALDH1A1LMNAHPGDHTT
SCHEMBL2233181 0.84 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL2233185 0.84 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL12348660 0.84 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMAPTKDM4E

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 AMY1A 375/4885ALDH1A1 1211/4885LMNA 4843/4885

“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.