SCHEMBL1723562

SCHEMBL1723562

CC(C)(C)OC(=O)NC1Cn2c(=O)ccc3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.38
PDE10A Q9Y233 3/20 0.38
EPHX2 P34913 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 2/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL1723261 1.00 GAA (0.39) GAAHTR1ADRD2PDE10AEPHX2
SCHEMBL1723447 0.81 GAA (0.39) GAAPDE10AEPHX2NFKB1NFKB2
SCHEMBL2288479 0.81 HTR1A (0.41) GAAHTR1APDE10AEPHX2NFKB1
SCHEMBL2294822 0.81 HTR1A (0.41) GAAHTR1APDE10AEPHX2NFKB1
SCHEMBL1723595 0.81 GAA (0.38) GAADRD2PDE10AEPHX2NFKB1
SCHEMBL1722713 0.81 GAA (0.38) GAAPDE10AEPHX2NFKB1NFKB2
SCHEMBL2286542 0.81 NFKB1 (0.40) GAADRD2PDE10AEPHX2NFKB1
SCHEMBL2288881 0.80 BRD4 (0.36) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL1723518 0.80 GAA (0.36) GAAEPHX2NFKB1NFKB2RELA
SCHEMBL1712022 0.80 JAK1 (0.38) GAAPDE10AEPHX2NFKB1NFKB2

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 4509/4885HTR1A 2667/4885DRD2 133/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 GAA 4308/4885HTR1A 1898/4885DRD2 156/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 GAA 4356/4885HTR1A 2208/4885DRD2 187/4885

“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.