SCHEMBL5280976

SCHEMBL5280976

COC(=O)Cn1nc(C)cc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.51
CNR2 P34972 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RCE1 Q9Y256 1/20 0.47
CYP2C9 P11712 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
SCHEMBL16452600 0.82 NR1H2 (0.54) GAACYP1A2CYP2C19
SCHEMBL14982247 0.82 CYP1A2 (0.49) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982226 0.81 KMT2A (0.50) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982246 0.79 HTT (0.50) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982230 0.79 GAA (0.46) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982233 0.79 GAA (0.46) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982238 0.79 GAA (0.46) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL15001812 0.79 HTT (0.47) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982241 0.78 MAPT (0.56) GAACYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL14982252 0.78 PDE4A (0.47) GAACYP1A2CYP2C19ALDH1A1HPGD

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 GAA 496/4885CYP1A2 4174/4885CYP2C19 4445/4885

“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.