SCHEMBL5404096

SCHEMBL5404096

O=C(O)CCN(CCc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 7/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PYGM P11217 1/20 0.41
KCNA5 P22460 3/20 0.41
KCNK3 O14649 1/20 0.41
KCNA3 P22001 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL5399141 0.94 LMNA (0.53) LMNAKDM4EHTTHPGDMEN1
SCHEMBL5402839 0.91 LMNA (0.61) LMNAHTTHPGDMEN1KMT2A
SCHEMBL5409198 0.89 HPGD (0.51) LMNAKDM4EHTTHPGDHSD17B10
SCHEMBL5407122 0.87 HPGD (0.49) LMNAKDM4EHTTHPGDMEN1
SCHEMBL5403484 0.85 LMNA (0.58) LMNAHTTHPGDMEN1KMT2A
SCHEMBL5399581 0.84 LMNA (0.55) LMNAKDM4EHTTHPGDMEN1
SCHEMBL5402241 0.84 HTT (0.49) LMNAKDM4EHTTHPGDKMT2A
SCHEMBL5404065 0.84 HPGD (0.48) LMNAKDM4EHTTHPGDGAA
SCHEMBL5399064 0.83 HPGD (0.48) LMNAKDM4EHTTHPGDMEN1
SCHEMBL5399040 0.83 TRPM8 (0.45) LMNAKDM4EHTTHPGDHSD17B10

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 LMNA 308/4885KDM4E 4680/4885HTT 3791/4885

“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.