SCHEMBL5329443

SCHEMBL5329443

CCn1c(=O)n(CC(=O)O)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.82
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 5/20 0.55
GLA P06280 1/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.47

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
SCHEMBL11808900 0.91 APEX1 (1.00) APEX1ALDH1A1KDM4EGLANPC1
SCHEMBL10242653 0.86 APEX1 (0.59) APEX1ALDH1A1KDM4ENPC1GAA
SCHEMBL3374638 0.85 APEX1 (0.65) APEX1ALDH1A1KDM4EGLAKMT2A
SCHEMBL4621924 0.84 ALDH1A1 (0.59) APEX1ALDH1A1KDM4ENPC1GAA
SCHEMBL7224645 0.82 ALDH1A1 (0.88) APEX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3581111 0.82 APEX1 (0.76) APEX1ALDH1A1KDM4EGLANPC1
SCHEMBL11256989 0.81 APEX1 (0.79) APEX1ALDH1A1KDM4EGLANPC1
SCHEMBL2762171 0.81 APEX1 (0.79) APEX1ALDH1A1KDM4EGLANPC1
SCHEMBL4100208 0.81 KDM4E (0.70) APEX1ALDH1A1KDM4ENPC1MEN1
SCHEMBL14198903 0.79 APEX1 (0.77) APEX1ALDH1A1KDM4EGLANPC1

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 APEX1 2109/4885ALDH1A1 2972/4885KDM4E 4305/4885

“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.