SCHEMBL5405330

SCHEMBL5405330

Cc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.47
TACR1 P25103 4/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HSP90AA1 P07900 2/20 0.42
GAA P10253 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
SCHEMBL5411854 0.90 TSHR (0.48) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL5405324 0.89 TSHR (0.59) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL6232981 0.89 KMT2A (0.60) KMT2AMEN1ALDH1A1TDP1TACR1
SCHEMBL5409458 0.88 TSHR (0.46) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL5402261 0.87 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL5401137 0.87 LTB4R2 (0.49) KMT2ATSHRMAPK1
SCHEMBL5398801 0.86 KMT2A (0.54) KMT2AMEN1ALDH1A1TDP1TACR1
SCHEMBL5399437 0.85 KMT2A (0.59) KMT2AMEN1ALDH1A1TDP1TACR1
SCHEMBL5405895 0.85 HCRTR1 (0.39) KMT2AMEN1ALDH1A1TDP1TACR1
SCHEMBL5406393 0.85 KMT2A (0.64) KMT2AMEN1ALDH1A1TDP1TACR1

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 891/4885ALDH1A1 1256/4885

“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.