SCHEMBL5404133

SCHEMBL5404133

O=C(O)CCN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.53
LMNA P02545 3/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.48
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL5403418 0.91 CHRNB2 (0.47) KMT2AGAALMNAALDH1A1HPGD
SCHEMBL5409628 0.89 HPGD (0.44) HTTKMT2ALMNAALDH1A1HPGD
SCHEMBL4930717 0.89 ALDH1A1 (0.48) HTTKMT2AGAALMNAALDH1A1
SCHEMBL5405946 0.87 HTT (0.52) HTTKMT2AGAALMNAPOLB
SCHEMBL5405180 0.87 HTT (0.53) HTTKMT2AGAALMNAPOLB
SCHEMBL5412154 0.87 HTT (0.62) HTTKMT2ALMNAALDH1A1USP2
SCHEMBL5409151 0.87 HTT (0.62) HTTKMT2ALMNAALDH1A1USP2
SCHEMBL5392441 0.86 HPGD (0.45) KMT2ALMNAALDH1A1HSD17B10HPGD
SCHEMBL5408418 0.86 CNR1 (0.43) KMT2ALMNAALDH1A1HPGD
SCHEMBL5397846 0.85 MEN1 (0.43) KMT2ALMNAALDH1A1TSHRHPGD

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 HTT 3791/4885KMT2A 2451/4885GAA 190/4885

“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.