SCHEMBL2015188

SCHEMBL2015188

CN(C(=O)c1cccc2[nH]ccc12)[C@H](CCNC(=O)c1ccccn1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
PIK3CD O00329 1/20 0.40
PIM1 P11309 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL2010959 1.00 EPHX2 (0.45) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13138941 0.87 EPHX2 (0.48) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2015759 0.87 EPHX2 (0.44) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2011963 0.87 EPHX2 (0.44) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2014608 0.84 EPHX2 (0.49) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL6919529 0.83 EPHX2 (0.44) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2012479 0.83 EPHX2 (0.44) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13139078 0.83 EPHX2 (0.50) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL13138986 0.83 HCRTR1 (0.46) EPHX2HCRTR1HCRTR2KMT2AALOX15
SCHEMBL2011103 0.83 CTNNB1 (0.48) EPHX2HCRTR1HCRTR2KMT2AALOX15

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 EPHX2 1742/4885HCRTR1 3230/4885HCRTR2 3029/4885

“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.