SCHEMBL5401031

SCHEMBL5401031

Cc1ccccc1CNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCCc1ccccc1)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.43
KCNA5 P22460 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.40
GAA P10253 1/20 0.40
LPAR1 Q92633 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL5401671 0.95 HPGD (0.52) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5394637 0.91 HPGD (0.54) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5392409 0.90 ALDH1A1 (0.50) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5409092 0.90 HPGD (0.53) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL5409890 0.89 CHRNB2 (0.48) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5398795 0.88 MAPK1 (0.49) HPGDHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL5406252 0.88 CHRNB2 (0.54) HPGDHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL5392815 0.88 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2KDM4ELMNAKCNA5
SCHEMBL5414359 0.88 KCNA5 (0.46) HPGDALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5398957 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.