SCHEMBL5402383

SCHEMBL5402383

COc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 4/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
APEX1 P27695 3/20 0.41
RAB9A P51151 1/20 0.41
NPC1 O15118 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
SCHEMBL5394257 0.94 HPGD (0.51) ALDH1A1LMNAHPGDHTTTP53
SCHEMBL4930054 0.93 ALDH1A1 (0.48) ALDH1A1LMNAHPGDGAAHTT
SCHEMBL5401695 0.92 KCNK3 (0.46) ALDH1A1LMNAHPGDTP53GLA
SCHEMBL5409462 0.92 KMT2A (0.49) ALDH1A1LMNAHPGDHTTL3MBTL1
SCHEMBL5403505 0.92 HPGD (0.47) ALDH1A1LMNAHPGDATML3MBTL1
SCHEMBL5397117 0.92 APEX1 (0.52) HPGDHTTL3MBTL1TP53GLA
SCHEMBL5405773 0.90 PPARA (0.43) LMNAHPGDL3MBTL1TP53GLA
SCHEMBL5418249 0.90 KMT2A (0.50) ALDH1A1LMNAHPGDHTTL3MBTL1
SCHEMBL5418600 0.90 HPGD (0.52) ALDH1A1HPGDGAAHTTKDM4E
SCHEMBL5418495 0.88 RAB9A (0.46) ALDH1A1LMNAHPGDTP53GLA

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 ALDH1A1 1256/4885LMNA 308/4885HPGD 1078/4885

“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.