SCHEMBL3407625

SCHEMBL3407625

COc1ccc2ncc(=O)n(C[C@@H](CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
PCSK9 Q8NBP7 1/20 0.33
BRD4 O60885 3/20 0.33
SERPINE1 P05121 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 1/20 0.32
PDPK1 O15530 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3804614 1.00 KCNH2 (0.36) KCNH2ALDH1A1KDM4EPCSK9BRD4
SCHEMBL3405904 0.82 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL3405907 0.82 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL3402849 0.80 KCNH2 (0.43) KCNH2ALDH1A1KDM4EBRD4CYP1A2
SCHEMBL3407622 0.78 DYRK1A (0.47) KCNH2ALDH1A1KDM4EBRD4PDPK1
SCHEMBL15850834 0.75 KCNH2 (0.41) KCNH2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL15850865 0.75 KCNH2 (0.39) KCNH2ALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL3401318 0.72 PCSK9 (0.37) PCSK9BRD4SERPINE1CYP3A4
SCHEMBL3401324 0.72 PCSK9 (0.37) PCSK9BRD4SERPINE1CYP3A4
SCHEMBL18544235 0.71 KCNH2 (0.50) KCNH2

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 KCNH2 526/4885ALDH1A1 367/4885KDM4E 2765/4885

“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.