SCHEMBL5409849

SCHEMBL5409849

CN(C)CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
LIMK2 P53671 2/20 0.47
LPAR1 Q92633 3/20 0.46
RCE1 Q9Y256 1/20 0.46
HTR5A P47898 1/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PPARG P37231 1/20 0.44
LIMK1 P53667 1/20 0.43
C5AR1 P21730 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5412182 0.95 KMT2A (0.47) KMT2AMEN1LIMK2LPAR1RCE1
SCHEMBL5394630 0.94 LPAR1 (0.53) KMT2AMEN1LIMK2LPAR1HTR5A
SCHEMBL5397896 0.94 KMT2A (0.52) KMT2AMEN1LIMK2LPAR1HTR5A
SCHEMBL5398588 0.94 KMT2A (0.45) KMT2AMEN1LIMK2LPAR1RCE1
SCHEMBL5407161 0.92 LPAR1 (0.55) KMT2AMEN1LPAR1TSHRTP53
SCHEMBL5392691 0.91 TSHR (0.56) KMT2AMEN1LPAR1RCE1TSHR
SCHEMBL5403536 0.90 CA12 (0.54) LIMK2
SCHEMBL5400875 0.90 LTB4R2 (0.45) KMT2AMEN1LPAR1TSHRMAPK1
SCHEMBL5409445 0.90 CHRNA7 (0.46) KMT2AMEN1LIMK2ALDH1A1MAPT
SCHEMBL5411854 0.89 TSHR (0.48) KMT2AMEN1LIMK2LPAR1HTR5A

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 KMT2A 2451/4885MEN1 891/4885LIMK2 3481/4885

“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.