SCHEMBL1224022

SCHEMBL1224022

COc1ccc2cccc(N3CC(CNC[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GRM2 Q14416 2/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL1224167 0.91 KCNH2 (0.35) KCNH2ALDH1A1LMNAGRM2
SCHEMBL1224166 0.91 KCNH2 (0.35) KCNH2ALDH1A1LMNAGRM2
SCHEMBL1223920 0.89 KCNH2 (0.41) KCNH2
SCHEMBL1950411 0.84 KCNH2 (0.35) KCNH2ALDH1A1LMNA
SCHEMBL1842445 0.84 KCNH2 (0.35) KCNH2ALDH1A1LMNA
SCHEMBL1948394 0.84 KCNH2 (0.35) KCNH2ALDH1A1LMNA
SCHEMBL1948392 0.84 KCNH2 (0.35) KCNH2ALDH1A1LMNA
SCHEMBL1222597 0.84 KCNH2 (0.40) KCNH2
SCHEMBL1224478 0.84 KCNH2 (0.40) KCNH2
SCHEMBL1224481 0.84 KCNH2 (0.40) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 EP claimed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US claimed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US claimed
EP-2144910-B1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2015-10-28 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KCNH2 912/4885ALDH1A1 1324/4885LMNA 2184/4885

“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.