SCHEMBL5404065

SCHEMBL5404065

O=C(O)CCN(CCCc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5407122 0.95 HPGD (0.49) HPGDLMNAHTTKDM4EPOLB
SCHEMBL5409198 0.91 HPGD (0.51) HPGDLMNAHTTKDM4EPOLB
SCHEMBL5402966 0.90 HPGD (0.50) HPGDLMNAHTTKDM4EPOLB
SCHEMBL5399064 0.89 HPGD (0.48) HPGDLMNAHTTKDM4EPOLB
SCHEMBL5399040 0.89 TRPM8 (0.45) HPGDLMNAHTTKDM4ETP53
SCHEMBL5406252 0.87 CHRNB2 (0.54) HPGDLMNAHTTTP53MAPT
SCHEMBL5402241 0.86 HTT (0.49) HPGDLMNAHTTKDM4ETP53
SCHEMBL5418566 0.86 TSHR (0.52) HPGDKDM4EPOLBTP53MAPT
SCHEMBL5397071 0.86 NPC1 (0.47) HPGDLMNAPOLBRAB9ANPC1
SCHEMBL5398743 0.85 CA1 (0.48) HPGDHTTKDM4EPOLBALDH1A1

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 1078/4885LMNA 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.