SCHEMBL5394264

SCHEMBL5394264

CCOc1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccc2Cl)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.45
RAF1 P04049 2/20 0.44
MAP2K1 Q02750 2/20 0.44
PPARA Q07869 1/20 0.44
APP P05067 1/20 0.43
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HCRTR2 O43614 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5403001 0.97 KMT2A (0.51) KMT2APOLBRAF1MAP2K1PPARA
SCHEMBL5397939 0.94 KMT2A (0.58) KMT2APOLBRAF1MAP2K1PPARA
SCHEMBL5399251 0.93 POLB (0.46) KMT2APOLBPPARAAPPLMNA
SCHEMBL5397971 0.91 KMT2A (0.48) KMT2APOLBPPARAAPPPDE10A
SCHEMBL5405645 0.91 SMN1; SMN2 (0.51) KMT2APPARAAPPPDE10ALMNA
SCHEMBL4931927 0.91 LMNA (0.45) RAF1MAP2K1PPARAAPPLMNA
SCHEMBL5403428 0.90 APP (0.49) PPARAAPPNPC1LMNAHPGD
SCHEMBL5402571 0.90 POLB (0.46) KMT2APOLBPPARALMNAHPGD
SCHEMBL5394185 0.89 KMT2A (0.51) KMT2APPARAAPPMEN1LMNA
SCHEMBL4929491 0.88 APEX1 (0.46) RAF1MAP2K1APPPDE10ALMNA

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 KMT2A 2451/4885POLB 527/4885RAF1 1038/4885

“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.