SCHEMBL5409459

SCHEMBL5409459

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)N(C)c2ccccn2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5411777 0.93 SMN1; SMN2 (0.39) KDM4ETP53MEN1KMT2AALOX15
SCHEMBL5399211 0.87 HCRTR1 (0.38) L3MBTL1MEN1KMT2AFFAR4HTT
SCHEMBL5397700 0.85 MAPK8 (0.43) KDM4EMEN1KMT2AALDH1A1TDP1
SCHEMBL5405706 0.85 POLB (0.40) MEN1KMT2ATSHRCTSGCMA1
SCHEMBL5399342 0.85 KDM4E (0.41) KDM4EL3MBTL1MEN1KMT2AFFAR4
SCHEMBL5409466 0.84 LMNA (0.48) KDM4EL3MBTL1MEN1KMT2AHTT
SCHEMBL5406332 0.83 RAF1 (0.46) KDM4ETP53L3MBTL1MEN1KMT2A
SCHEMBL5398272 0.83 ALDH1A1 (0.40) KDM4EMEN1KMT2ACTSGCMA1
SCHEMBL5409762 0.83 MEN1 (0.37) MEN1KMT2ATSHRBCHECTSG
SCHEMBL5401055 0.83 ALDH1A1 (0.41) KDM4EL3MBTL1MEN1KMT2AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB KDM4E 4680/4885TP53 32/4885L3MBTL1 1016/4885

“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.