SCHEMBL249685

SCHEMBL249685

CC(=O)CC(=O)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.62
NR1H4 Q96RI1 10/20 0.62
HDAC3 O15379 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL18232499 0.86 EPHX2 (0.60) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL5178356 0.84 EPHX2 (0.64) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL12993441 0.84 EPHX2 (0.59) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL15447106 0.84 ALDH1A1 (0.56) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4403136 0.84 EPHX2 (0.68) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL15447206 0.83 HDAC3 (0.57) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL28822073 0.83 EPHX2 (0.58) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL3421393 0.83 MEN1 (0.60) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL19513354 0.83 EPHX2 (0.62) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL3420620 0.82 EPHX2 (0.65) EPHX2NR1H4HDAC3HDAC8HDAC6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 EPHX2 1196/4885NR1H4 527/4885HDAC3 2413/4885

“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.