SCHEMBL13631302

SCHEMBL13631302

O=C(Cn1nnc2ccccc21)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
GAA P10253 9/20 0.62
MGAM O43451 7/20 0.62
AMY1A P0DUB6 7/20 0.62
SI P14410 7/20 0.62
MGAM2 Q2M2H8 7/20 0.62
RAB9A P51151 5/20 0.62
EGLN3 Q9H6Z9 1/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 2/20 0.53
APAF1 O14727 1/20 0.52
ALDH1A1 P00352 1/20 0.52
AGTR1 P30556 1/20 0.52

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
SCHEMBL5281090 0.82 GAA (0.58) TP53GAAMGAMAMY1ASI
SCHEMBL29625506 0.81 GAA (0.73) TP53GAAMGAMAMY1ASI
SCHEMBL361654 0.81 GAA (0.73) TP53GAAMGAMAMY1ASI
Hydrochloric Acid SCHEMBL1371916 0.80 GAA (0.71) TP53GAAMGAMAMY1ASI
SCHEMBL2490943 0.79 TP53 (0.67) TP53GAAMGAMAMY1ASI
SCHEMBL5285726 0.78 TP53 (0.59) TP53GAAMGAMAMY1ASI
SCHEMBL14303694 0.78 TP53 (0.59) TP53GAAMGAMAMY1ASI
SCHEMBL12093975 0.77 GAA (1.00) TP53GAAMGAMAMY1ASI
SCHEMBL11583708 0.77 KDM4E (0.57) EGLN3NPC1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL11524883 0.76 GAA (0.67) TP53GAAMGAMAMY1ASI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615573-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-10 US disclosed
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-08-30 US 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-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 TP53 4846/4885GAA 91/4885MGAM 170/4885

“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.