SCHEMBL12435974

SCHEMBL12435974

COc1cc(NC(=O)c2cc(C)cc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ATM Q13315 1/20 0.54
ABCB1 P08183 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
GFER P55789 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
MCL1 Q07820 1/20 0.51
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
P4HTM Q9NXG6 1/20 0.50
PKM P14618 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL16675161 0.84 ABCB1 (0.68) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL16675167 0.84 ABCB1 (0.68) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL16681578 0.83 ATM (0.68) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL6796229 0.83 MAPT (0.62) MAPTATMALDH1A1KMT2AGFER
SCHEMBL12435973 0.83 KMT2A (0.64) MAPTALDH1A1KMT2AGFERMEN1
SCHEMBL12513173 0.82 CYP3A4 (0.56) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL3860528 0.78 ATM (0.61) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL17512384 0.77 ATM (0.60) MAPTATMABCB1ALDH1A1KMT2A
SCHEMBL12584908 0.77 ABCB1 (0.76) MAPTABCB1ALDH1A1KMT2AGFER
SCHEMBL30958899 0.75 ATM (0.89) MAPTATMABCB1ALDH1A1KMT2A

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 MAPT 3474/4885ATM 1640/4885ABCB1 415/4885

“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.