SCHEMBL3405904

SCHEMBL3405904

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
CYP1A2 P05177 13/20 0.36
CYP3A4 P08684 12/20 0.36
ALDH1A1 P00352 8/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 7/20 0.35
HPGD P15428 3/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP2C19 P33261 6/20 0.35
USP2 O75604 6/20 0.35
CYP2C9 P11712 6/20 0.35
CYP2D6 P10635 2/20 0.35
CLK4 Q9HAZ1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3405907 1.00 KCNH2 (0.39) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL3407625 0.82 KCNH2 (0.36) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL3804614 0.82 KCNH2 (0.36) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850865 0.81 KCNH2 (0.39) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850834 0.80 KCNH2 (0.41) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL4300323 0.77 CYP1A2 (0.43) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL3777808 0.75 CYP1A2 (0.49) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL15850866 0.74 CYP1A2 (0.40) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL1432243 0.74 P2RX3 (0.43) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL3789136 0.73 CYP1A2 (0.47) KCNH2CYP1A2CYP3A4ALDH1A1MAPK1

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 526/4885CYP1A2 210/4885CYP3A4 421/4885

“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.