SCHEMBL5409628

SCHEMBL5409628

O=C(O)CCN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
APEX1 P27695 1/20 0.44
CNR2 P34972 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5403418 0.95 CHRNB2 (0.47) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5392441 0.93 HPGD (0.45) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5408418 0.93 CNR1 (0.43) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4930717 0.93 ALDH1A1 (0.48) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5412062 0.91 RAB9A (0.57) HPGDAPEX1KMT2ALMNAALDH1A1
SCHEMBL5400979 0.91 APEX1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4APEX1
SCHEMBL5399392 0.89 ALDH1A1 (0.45) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5395356 0.89 KMT2A (0.44) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5397846 0.89 MEN1 (0.43) HPGDPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5404255 0.89 L3MBTL1 (0.47) HPGDPLAAT3PLAAT5PLAAT2PLAAT4

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 HPGD 1078/4885PLAAT3 1173/4885PLAAT5 1536/4885

“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.