SCHEMBL5399342

SCHEMBL5399342

Cc1ccccc1CCN(CCC(=O)O)C(=O)c1ccccc1-c1ccccc1C(=O)N(C)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALOX5AP P20292 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
MEN1 O00255 1/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
POLQ O75417 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5403476 0.88 FFAR1 (0.41) ALOX5APHCRTR1HCRTR2KMT2AFFAR1
SCHEMBL5411777 0.88 SMN1; SMN2 (0.39) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5402834 0.87 HCRTR1 (0.43) KDM4EALOX5APHCRTR1HCRTR2KMT2A
SCHEMBL5399211 0.87 HCRTR1 (0.38) HCRTR1HCRTR2KMT2AL3MBTL1FFAR1
SCHEMBL5414051 0.86 KMT2A (0.46) ALOX5APHCRTR1HCRTR2KMT2AL3MBTL1
SCHEMBL5399576 0.85 FFAR1 (0.40) KDM4EALOX5APHCRTR1HCRTR2KMT2A
SCHEMBL5409818 0.85 FFAR1 (0.45) ALOX5APKMT2AFFAR1FFAR4MEN1
SCHEMBL5409459 0.85 KDM4E (0.39) KDM4EHCRTR1HCRTR2KMT2AL3MBTL1
SCHEMBL5395719 0.84 CYP1A2 (0.40) ALOX5APKMT2AL3MBTL1FFAR1FFAR4
SCHEMBL5416739 0.83 CDK4 (0.47) KMT2A

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 KDM4E 4680/4885ALOX5AP 771/4885HCRTR1 2878/4885

“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.