SCHEMBL5285726

SCHEMBL5285726

CC(C)(C)OC(=O)Cn1nnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
GAA P10253 10/20 0.57
MGAM O43451 7/20 0.57
AMY1A P0DUB6 7/20 0.57
SI P14410 7/20 0.57
MGAM2 Q2M2H8 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 2/20 0.54
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
SLC9A1 P19634 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.51

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
SCHEMBL2490943 0.81 TP53 (0.67) TP53GAAMGAMAMY1ASI
SCHEMBL29964193 0.80 BCHE (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL18803150 0.80 BCHE (0.49) GAAMGAMAMY1ASIMGAM2
SCHEMBL1689837 0.79 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL13631302 0.78 TP53 (0.64) TP53GAAMGAMAMY1ASI
SCHEMBL5281090 0.78 GAA (0.58) TP53GAAMGAMAMY1ASI
SCHEMBL29964106 0.78 BCHE (0.47) GAAMGAMAMY1ASIMGAM2
SCHEMBL3045921 0.77 ALDH1A1 (0.62) NPC1SMN1; SMN2KDM4EALDH1A1CYP2C9
SCHEMBL14303694 0.77 TP53 (0.59) TP53GAAMGAMAMY1ASI
SCHEMBL19933823 0.77 KDM4E (0.43) KDM4EALDH1A1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 TP53 2946/4885GAA 496/4885MGAM 488/4885

“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.