SCHEMBL3407489

SCHEMBL3407489

COc1ccc(N)c(NCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.53
STK17A Q9UEE5 1/20 0.53
BRD4 O60885 18/20 0.47
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL3408155 0.93 LATS1 (0.48) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL3410303 0.82 STK17B (0.49) STK17BSTK17ABRD4
SCHEMBL13912909 0.79 ZAP70 (0.38) BRD4
SCHEMBL3407462 0.79 STK17B (0.46) STK17BSTK17ABRD4
SCHEMBL3408150 0.79 BCHE (0.46) STK17BSTK17ABRD4
SCHEMBL13333049 0.78 STK17B (0.51) STK17BSTK17ABRD4ADORA2AADORA2B
SCHEMBL19707059 0.78 CRHR1 (0.43)
SCHEMBL3401324 0.77 PCSK9 (0.37) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL3401318 0.77 PCSK9 (0.37) STK17BSTK17ABRD4ADORA2AADORA1
SCHEMBL2849201 0.76 MTNR1A (0.51)

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 6 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
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 STK17B 929/4885STK17A 1280/4885BRD4 3136/4885

“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.