SCHEMBL5403476

SCHEMBL5403476

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1ccccc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
ALOX5AP P20292 1/20 0.38
MLNR O43193 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL5399576 0.95 FFAR1 (0.40) FFAR1FFAR4KMT2AMEN1PPARG
SCHEMBL5409818 0.95 FFAR1 (0.45) FFAR1FFAR4KMT2AMEN1PPARG
SCHEMBL5414051 0.94 KMT2A (0.46) FFAR1FFAR4KMT2AMEN1PPARG
SCHEMBL5416779 0.92 TBXAS1 (0.44) KMT2AALOX5APHTT
SCHEMBL5397151 0.91 FFAR1 (0.46) FFAR1FFAR4KMT2AMEN1TSHR
SCHEMBL5402834 0.91 HCRTR1 (0.43) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL5401102 0.91 FFAR1 (0.47) FFAR1FFAR4KMT2AMEN1PPARG
SCHEMBL5401469 0.91 CA1 (0.49) CA12CA1CA2CA4
SCHEMBL5405354 0.90 TSHR (0.47) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL5407016 0.89 RAB9A (0.43) FFAR1KMT2AMEN1ALDH1A1MLNR

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 FFAR1 65/4885FFAR4 187/4885KMT2A 2451/4885

“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.