SCHEMBL12435937

SCHEMBL12435937

CCC(Br)C(=O)Nc1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
STAT3 P40763 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
ABCB1 P08183 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
METAP2 P50579 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12435930 0.90 ATM (0.49) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435935 0.85 ATM (0.49) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435920 0.85 ATM (0.49) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435909 0.84 ATM (0.52) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435916 0.84 ATM (0.54) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435947 0.83 ATM (0.51) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435922 0.81 ATM (0.51) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12436023 0.81 MAPK1 (0.53) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12435905 0.81 ATM (0.51) ATMSTAT3GAAMAPK1P4HTM
SCHEMBL12436029 0.80 PDK1 (0.57) ATMSTAT3GAAMAPK1P4HTM

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 853/4885GAA 791/4885

“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.