SCHEMBL1224345

SCHEMBL1224345

COc1ccc2ncnc(N3CC(NCC4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
MTNR1B P49286 2/20 0.39
ENPP1 P22413 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GRM2 Q14416 4/20 0.34
KIT P10721 1/20 0.34
PDGFRB P09619 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
SCHEMBL1224343 1.00 KCNH2 (0.40) KCNH2MTNR1BENPP1MAOAMAOB
SCHEMBL1223133 0.89 KCNH2 (0.45) KCNH2MAOAMAOBGRM2
SCHEMBL1223135 0.89 KCNH2 (0.45) KCNH2MAOAMAOBGRM2
SCHEMBL1223131 0.86 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1224202 0.86 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1223130 0.86 SIGMAR1 (0.43) MTNR1BENPP1
SCHEMBL1222742 0.86 DRD4 (0.41) KCNH2MTNR1BENPP1
SCHEMBL1222744 0.86 DRD4 (0.41) KCNH2MTNR1BENPP1
SCHEMBL3668033 0.86 KCNH2 (0.41) KCNH2MTNR1BENPP1MAOAMAOB
SCHEMBL1224255 0.85 TSHR (0.44) KCNH2MAOAMAOB

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 11 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-2915813-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2017-02-01 EP disclosed
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
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KCNH2 912/4885MTNR1B 321/4885ENPP1 4067/4885

“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.