SCHEMBL1723595

SCHEMBL1723595

CC(C)(C)OC(=O)NC1Cn2c(=O)ccc3ccc(Br)c1c32

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PDE10A Q9Y233 1/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
EPHX2 P34913 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
DRD2 P14416 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32

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
SCHEMBL1723447 0.87 GAA (0.39) GAANFKB1NFKB2RELAPDE10A
SCHEMBL2286542 0.86 NFKB1 (0.40) GAANFKB1NFKB2RELAPDE10A
SCHEMBL1722713 0.86 GAA (0.38) GAANFKB1NFKB2RELAPDE10A
SCHEMBL2287071 0.85 GAA (0.38) GAANFKB1NFKB2RELAPDE10A
SCHEMBL1712785 0.84 GAA (0.36) GAANFKB1NFKB2RELAPDE10A
SCHEMBL1722784 0.84 SUV39H2 (0.38) GAANFKB1NFKB2RELAJAK3
SCHEMBL17311919 0.84 SUV39H2 (0.38) GAANFKB1NFKB2RELAJAK3
SCHEMBL1723562 0.81 GAA (0.39) GAANFKB1NFKB2RELAPDE10A
SCHEMBL1723261 0.81 GAA (0.39) GAANFKB1NFKB2RELAPDE10A
SCHEMBL2290718 0.80 GAA (0.36) GAANFKB1NFKB2RELAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
WO-2010041194-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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 (3 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 GAA 4509/4885NFKB1 1957/4885NFKB2 1484/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 GAA 4308/4885NFKB1 2050/4885NFKB2 1558/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 GAA 4356/4885NFKB1 2483/4885NFKB2 1972/4885

“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.