SCHEMBL5404128

SCHEMBL5404128

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
PYGL P06737 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
TBXAS1 P24557 2/20 0.36
HPGD P15428 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
POLQ O75417 2/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
PDK1 Q15118 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5402302 0.85 NOTUM (0.43) POLBGPBAR1TRPV1TBXAS1POLQ
SCHEMBL5409148 0.84 TRPV1 (0.48) POLBTRPV1TBXAS1KMT2AGAA
SCHEMBL5395719 0.84 CYP1A2 (0.40) PYGLKCNH2HPGDPLAAT3PLAAT5
SCHEMBL5412150 0.84 TBXAS1 (0.46) TRPV1TBXAS1KMT2A
SCHEMBL5404133 0.83 HTT (0.54) POLBHPGDLMNAKMT2AGAA
SCHEMBL5398696 0.83 TRPV1 (0.47) POLBTRPV1TBXAS1KMT2A
SCHEMBL5401132 0.82 TRPV1 (0.51) TRPV1HDAC8TBXAS1KMT2A
SCHEMBL5392395 0.82 NOTUM (0.40) POLBTRPV1TP53KMT2AGAA
SCHEMBL5400596 0.81 TRPV1 (0.48) TRPV1TBXAS1
SCHEMBL5397881 0.81 TRPV1 (0.41) POLBTRPV1LMNA

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 POLB 527/4885GPBAR1 641/4885TRPV1 1916/4885

“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.