SCHEMBL591127

SCHEMBL591127

CC(C)(C)OC(=O)NCC/C=C/CBr

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA12 O43570 6/20 0.41
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
CA9 Q16790 5/20 0.41
EPHX1 P07099 1/20 0.41
CA14 Q9ULX7 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
CTSK P43235 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL591128 1.00 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13306408 0.91 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24197446 0.84 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28536043 0.84 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL590360 0.84 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL590359 0.84 TDP1 (0.54) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7515871 0.82 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22140598 0.82 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22288334 0.82 TDP1 (0.43) TDP1MEN1GAAKMT2AMAOA
SCHEMBL28454875 0.82 TDP1 (0.43) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY TDP1 3610/4885MEN1 1250/4885GAA 3645/4885

“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.