SCHEMBL12435930

SCHEMBL12435930

COc1cc(NC(=O)c2ccc(CO)c(NC(=O)C(C)Br)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
STAT3 P40763 1/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
ABCB1 P08183 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 3/20 0.43
METAP2 P50579 1/20 0.43

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
SCHEMBL12435937 0.90 ATM (0.47) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435935 0.89 ATM (0.49) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435920 0.89 ATM (0.49) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL17512412 0.88 ATM (0.54) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435916 0.85 ATM (0.54) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435947 0.85 ATM (0.51) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435940 0.84 KMT2A (0.42) MAPK1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL12435909 0.84 ATM (0.52) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435922 0.83 ATM (0.51) ATMSTAT3MAPK1GAAP4HTM
SCHEMBL12435905 0.83 ATM (0.51) ATMSTAT3MAPK1GAAP4HTM

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 ATM 1640/4885STAT3 853/4885MAPK1 4279/4885

“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.