SCHEMBL5402563

SCHEMBL5402563

O=C(O)CCN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CXCR3 P49682 1/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.45
KCNK3 O14649 1/20 0.44
KCNA3 P22001 1/20 0.44
KCNA5 P22460 1/20 0.44
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
ALDH1A1 P00352 1/20 0.43
APEX1 P27695 1/20 0.43
RAF1 P04049 1/20 0.42
MAP2K1 Q02750 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 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
SCHEMBL5394599 0.90 LMNA (0.48) KMT2ACXCR3LMNAHTTHPGD
SCHEMBL5402638 0.90 KDM4E (0.46) KMT2ALMNAHTTHPGDKCNK3
SCHEMBL5409126 0.90 LMNA (0.46) KMT2ALMNAHTTKCNK3KCNA3
SCHEMBL5400979 0.89 APEX1 (0.48) KMT2ALMNAHTTMEN1HCRTR1
SCHEMBL5400696 0.88 KMT2A (0.45) KMT2ALMNAHTTMEN1HCRTR1
SCHEMBL5405399 0.87 RAB9A (0.59) KMT2ALMNAHTTHPGDKCNK3
SCHEMBL5402839 0.87 LMNA (0.61) KMT2ALMNAHTTHPGDKCNK3
SCHEMBL5397160 0.86 APEX1 (0.47) KMT2ALMNAHTTMEN1HCRTR1
SCHEMBL5405946 0.86 HTT (0.52) KMT2ALMNAHTTHPGDMEN1
SCHEMBL5392961 0.86 LMNA (0.47) KMT2ALMNAHTTHPGDKCNK3

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 2451/4885CXCR3 849/4885LMNA 308/4885

“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.