SCHEMBL20150841

SCHEMBL20150841

Cc1ccc(C)c(NC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.55
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL8248081 0.82 RAPGEF4 (0.57) RAPGEF4GAAALDH1A1HTTLMNA
SCHEMBL10586957 0.80 MAPT (0.39) RAPGEF4GAAALDH1A1LMNAMEN1
SCHEMBL12368472 0.78 RAPGEF4 (0.56) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL12883421 0.78 PDK1 (0.49) RAPGEF4ALDH1A1MEN1KMT2AMAPT
SCHEMBL20620435 0.78 MAPT (0.40) GAAALDH1A1HTTKDM4ELMNA
SCHEMBL19848688 0.78 RAPGEF4 (0.39) RAPGEF4GAAALDH1A1KDM4ELMNA
SCHEMBL9750979 0.78 ALDH1A1 (0.48) RAPGEF4ALDH1A1KDM4ELMNAMEN1
SCHEMBL12883486 0.78 ALDH1A1 (0.41) RAPGEF4ALDH1A1LMNAMEN1KMT2A
SCHEMBL29196035 0.75 RAPGEF4 (0.71) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL9224102 0.75 GAA (0.65) RAPGEF4GAAALDH1A1HTTKDM4E

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-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same DREXEL UNIVERSITY (US) 2018-05-17 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-20180134727-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 RAPGEF4 1796/4885GAA 2866/4885ALDH1A1 1228/4885

“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.