SCHEMBL12435959

SCHEMBL12435959

COc1cc(NC(=O)c2ccc(CO)c(NC(=O)CF)c2)cc(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
STAT3 P40763 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NAMPT P43490 1/20 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
P4HTM Q9NXG6 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 2/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL12435922 0.94 ATM (0.51) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL17507495 0.89 ATM (0.51) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435909 0.84 ATM (0.52) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435905 0.83 ATM (0.51) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435947 0.83 ATM (0.51) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435916 0.82 ATM (0.54) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435960 0.81 NPC1 (0.55) KMT2AMEN1CYP3A4CYP2C19GAA
SCHEMBL12436007 0.80 ATM (0.57) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12436029 0.80 PDK1 (0.57) ATMKMT2AMEN1CYP3A4CYP2C19
SCHEMBL12435962 0.80 MAPT (0.49) ATMKMT2AMEN1CYP2C19MAPK1

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 1 patent. 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

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 1640/4885KMT2A 964/4885MEN1 4747/4885

“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.