SCHEMBL5404295

SCHEMBL5404295

COc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
KCNA5 P22460 5/20 0.48
KCNA3 P22001 2/20 0.48
KCNK3 O14649 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RCE1 Q9Y256 1/20 0.46
KMT2A Q03164 1/20 0.45
RAF1 P04049 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL5411783 0.93 LMNA (0.51) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5397621 0.89 HPGD (0.57) HPGDALDH1A1KDM4EHTTRCE1
SCHEMBL5394218 0.88 KCNA5 (0.49) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5409466 0.88 LMNA (0.48) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5405983 0.87 HPGD (0.55) HPGDALDH1A1KDM4ELMNAHTT
SCHEMBL5402839 0.87 LMNA (0.61) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5403468 0.87 POLB (0.52) HPGDALDH1A1KDM4EHTTRCE1
SCHEMBL5404003 0.86 LMNA (0.48) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5401536 0.86 HPGD (0.48) HPGDKCNA5KCNA3KCNK3ALDH1A1
SCHEMBL5397704 0.86 MAPK8 (0.51) HPGDALDH1A1KDM4ELMNAHTT

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 1078/4885KCNA5 3586/4885KCNA3 3964/4885

“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.