SCHEMBL25004064

SCHEMBL25004064

COc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(C)C)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MMP2 P08253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HCRTR2 O43614 2/20 0.49
GPR139 Q6DWJ6 1/20 0.49
ABCB1 P08183 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
SCHEMBL11737499 0.89 KMT2A (0.57) KMT2AMAPK1LMNAALDH1A1KDM4E
SCHEMBL23489677 0.88 ROCK2 (0.62) KMT2AMAPK1LMNAALDH1A1KDM4E
SCHEMBL10144825 0.85 MAPK1 (0.67) KMT2AMAPK1LMNAALDH1A1KDM4E
SCHEMBL25004063 0.82 CTSL (0.62) HPGDL3MBTL1
Dl-Phenylalanine SCHEMBL28584723 0.79 ALDH1A1 (0.53) KMT2AMAPK1LMNAALDH1A1KDM4E
SCHEMBL13257747 0.78 KMT2A (0.79) KMT2AMAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL888697 0.76 ALDH1A1 (0.56) ALDH1A1
SCHEMBL10281747 0.76 ALDH1A1 (0.56) ALDH1A1
SCHEMBL888695 0.76 ALDH1A1 (0.56) ALDH1A1
SCHEMBL28547568 0.76 CTSS (0.56) KMT2AMAPK1MMP2SMN1; SMN2L3MBTL1

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-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-09 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-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES MRPS23, RPP30, RPS19 KMT2A 2843/4885MAPK1 3361/4885LMNA 2030/4885

“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.