SCHEMBL5402802

SCHEMBL5402802

C=CCNC(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 7/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5394637 0.89 HPGD (0.54) MAPTALDH1A1TP53HPGDHTT
SCHEMBL5402706 0.87 MAPT (0.46) MAPTALDH1A1L3MBTL1HPGDCYP1A2
SCHEMBL5409890 0.87 CHRNB2 (0.48) ALDH1A1L3MBTL1HPGDHTTLMNA
SCHEMBL5409541 0.86 MAPT (0.56) MAPTALDH1A1TP53L3MBTL1HPGD
SCHEMBL5396800 0.86 MAPT (0.48) MAPTALDH1A1TP53L3MBTL1HPGD
SCHEMBL5406034 0.86 SMN1; SMN2 (0.50) MAPTALDH1A1HPGDHTTLMNA
SCHEMBL5392869 0.85 ALDH1A1 (0.46) MAPTALDH1A1TP53L3MBTL1HPGD
SCHEMBL5408473 0.84 HTT (0.46) MAPTALDH1A1HPGDHTTLMNA
SCHEMBL5401143 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1HPGDHTTLMNA
SCHEMBL5394200 0.84 L3MBTL1 (0.48) MAPTALDH1A1TP53L3MBTL1HPGD

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 MAPT 457/4885ALDH1A1 1256/4885TP53 32/4885

“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.