SCHEMBL3787002

SCHEMBL3787002

CCOC(=O)CNc1ccc(OC)nc1NCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.42
BCHE P06276 1/20 0.41
LATS1 O95835 1/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3407462 0.94 STK17B (0.46) BRD4STK17BSTK17A
SCHEMBL19707058 0.82 CRHR1 (0.39)
SCHEMBL3404259 0.82 SERPINE1 (0.33) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL3404254 0.82 SERPINE1 (0.33) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL3841789 0.81 KCNA3 (0.42)
SCHEMBL20995966 0.80 BTK (0.42)
SCHEMBL3408155 0.78 LATS1 (0.48) BRD4BCHELATS1STK17BSTK17A
SCHEMBL3408150 0.78 BCHE (0.46) BRD4BCHELATS1STK17BSTK17A
SCHEMBL3846399 0.76 LMNA (0.38) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL3408429 0.74 TXNRD1 (0.47) BRD4BCHELATS1STK17BSTK17A

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 4 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

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 BRD4 3136/4885BCHE 4126/4885LATS1 2219/4885

“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.