SCHEMBL5401474

SCHEMBL5401474

NS(=O)(=O)c1ccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.53
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
CA4 P22748 4/20 0.49
CA1 P00915 5/20 0.47
CA12 O43570 2/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5403484 0.90 LMNA (0.58) LMNAHTTKMT2AL3MBTL1MEN1
SCHEMBL5401053 0.88 CA2 (0.55) CA2CA4CA1CA12KMT2A
SCHEMBL5414055 0.88 LMNA (0.53) LMNAHTTKMT2AL3MBTL1MEN1
SCHEMBL5399581 0.87 LMNA (0.55) LMNAHTTKMT2AL3MBTL1MEN1
SCHEMBL5402839 0.86 LMNA (0.61) LMNAHTTKMT2AL3MBTL1MEN1
SCHEMBL5400679 0.85 CA2 (0.54) CA2HTTCA4CA1CA12
SCHEMBL5409823 0.85 LMNA (0.57) LMNAHTTKMT2AL3MBTL1MEN1
SCHEMBL5397156 0.85 KMT2A (0.53) LMNAHTTKMT2AMEN1HPGD
SCHEMBL5400913 0.85 CA2 (0.53) CA2LMNACA4CA1CA12
SCHEMBL5398456 0.85 CA2 (0.54) CA2CA4CA1CA12KMT2A

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 CA2 1987/4885LMNA 308/4885HTT 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.