SCHEMBL3403656

SCHEMBL3403656

COc1ccc2ncc(=O)n(CCC(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.57
DYRK1A Q13627 1/20 0.53
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL12066196 0.91
SCHEMBL3778172 0.89 DYRK1A (0.55) DYRK1AMTNR1AMTNR1BHTR1ADRD2
SCHEMBL12065370 0.87 KDM4E (0.62) KDM4EALDH1A1HPGD
SCHEMBL3404323 0.85 ALDH1A1 (0.54) DYRK1AMTNR1AMTNR1BHTR1ADRD2
SCHEMBL15595114 0.82 HTR1A (0.53) MTNR1AMTNR1BHTR1ADRD2HTR2A
SCHEMBL14313796 0.81 TDP1 (0.49) DYRK1AMTNR1AMTNR1BHTR1ADRD2
SCHEMBL13730099 0.81 HTR1A (0.46) MTNR1AMTNR1BHTR1ADRD2HTR2A
SCHEMBL15850810 0.81 KCNH2 (0.48) MTNR1AMTNR1BHTR1ADRD2HTR2A
SCHEMBL3409598 0.80 KMO (0.61) KMODYRK1AMTNR1AMTNR1BKDM4E
SCHEMBL15850833 0.80 HTR1A (0.46) HTR1ADRD2HTR2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
WO-2011148962-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2011-12-01 WO disclosed
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2254887-A1 OXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 KMO 3983/4885DYRK1A 1845/4885MTNR1A 1771/4885

“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.