SCHEMBL12435909

SCHEMBL12435909

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AHR P35869 1/20 0.49
STAT3 P40763 1/20 0.48
GAA P10253 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NAMPT P43490 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
TP53 P04637 1/20 0.46
ABCB1 P08183 1/20 0.45

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
SCHEMBL12435981 0.93 STAT3 (0.49) ATMMAPTMAPK1SMN1; SMN2AHR
SCHEMBL12435962 0.91 MAPT (0.49) ATMMAPTMAPK1SMN1; SMN2AHR
SCHEMBL12435905 0.90 ATM (0.51) ATMMAPTMAPK1SMN1; SMN2STAT3
SCHEMBL12435922 0.90 ATM (0.51) ATMMAPTMAPK1SMN1; SMN2STAT3
SCHEMBL12435947 0.90 ATM (0.51) ATMMAPTMAPK1SMN1; SMN2STAT3
SCHEMBL12435991 0.89 MAPT (0.47) ATMMAPTMAPK1SMN1; SMN2AHR
SCHEMBL12435963 0.89 MAPT (0.58) MAPTMAPK1SMN1; SMN2AHRGAA
SCHEMBL12435916 0.88 ATM (0.54) ATMMAPTMAPK1SMN1; SMN2STAT3
SCHEMBL2217242 0.88 MAPT (0.56) ATMMAPTMAPK1SMN1; SMN2AHR
SCHEMBL2217642 0.86 HTT (0.59) ATMMAPTMAPK1SMN1; SMN2AHR

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 1640/4885MAPT 3474/4885MAPK1 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.