SCHEMBL5409092

SCHEMBL5409092

Cc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
MAPT P10636 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
KCNA5 P22460 2/20 0.42
GAA P10253 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
SCHEMBL5394841 0.93 HTT (0.48) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5397765 0.91 HDAC1 (0.49) HPGDHTTALDH1A1KDM4ETSHR
SCHEMBL5401671 0.91 HPGD (0.52) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5409483 0.91 HTT (0.51) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5401031 0.90 HPGD (0.51) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5394637 0.88 HPGD (0.54) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5400848 0.88 CHRNB2 (0.57) HPGDHTTKDM4ELMNATSHR
SCHEMBL5394805 0.87 L3MBTL1 (0.55) HPGDALDH1A1KDM4ELMNAHDAC1
SCHEMBL5392697 0.87 KCNA5 (0.48) HPGDHTTALDH1A1LMNATSHR
SCHEMBL5394988 0.87 HPGD (0.56) HPGDHTTALDH1A1KDM4ELMNA

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 1078/4885HTT 3791/4885ALDH1A1 1256/4885

“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.