SCHEMBL2012111

SCHEMBL2012111

CN(C(=O)c1ccc2[nH]ccc2c1)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
EPHX2 P34913 1/20 0.44
KMT2A Q03164 6/20 0.41
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
MEN1 O00255 4/20 0.40
ALOX15 P16050 1/20 0.39
MAPK14 Q16539 2/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL2011103 1.00 CTNNB1 (0.48) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL2012361 0.93 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL13138986 0.93 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2
SCHEMBL13138952 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138976 0.88 HCRTR1 (0.51) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138970 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL13138994 0.84 KMT2A (0.55) HCRTR1HCRTR2EPHX2KMT2AMEN1
SCHEMBL2011137 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2APADI4
SCHEMBL2011138 0.83 HCRTR1 (0.49) HCRTR1HCRTR2EPHX2KMT2APADI4
SCHEMBL2015295 0.83 HCRTR1 (0.46) CTNNB1WNT3AHCRTR1HCRTR2EPHX2

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
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 CTNNB1 2500/4885WNT3A 4271/4885HCRTR1 3230/4885

“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.