SCHEMBL592158

SCHEMBL592158

COc1ccc2ncc(F)c(C=O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
SLC2A1 P11166 2/20 0.37
KCNH2 Q12809 5/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 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
SCHEMBL2169114 0.88 ERN1 (0.41) ERN1SLC2A1KCNH2ALDH1A1GAA
SCHEMBL592871 0.85 KCNH2 (0.38) SLC2A1KCNH2
SCHEMBL14250476 0.82 ERN1 (0.45) ERN1KCNH2
SCHEMBL31391768 0.82 ERN1 (0.37) ERN1KCNH2
SCHEMBL2036536 0.82 ERN1 (0.37) ERN1KCNH2
SCHEMBL29050365 0.82 ERN1 (0.37) ERN1KCNH2
SCHEMBL3606970 0.81 SLC2A1 (0.38) SLC2A1KCNH2ALDH1A1
SCHEMBL3606967 0.81 SLC2A1 (0.38) SLC2A1KCNH2ALDH1A1
SCHEMBL3374488 0.80 PDGFRB (0.44) KCNH2
SCHEMBL3374487 0.80 PDGFRB (0.44) 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8466168-B2 Tricyclic alkylaminomethyloxazolidinone derivatives Actellon Pharmaceuticals Ltd. (CH) 2013-06-18 US disclosed
EP-2321307-B1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
US-8193179-B2 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-06-05 US disclosed
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
WO-2008152603-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-12-18 WO disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed
EP-1981881-A1 TETRAHYDROPYRANE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 ERN1 757/4885SLC2A1 3035/4885KCNH2 1821/4885

“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.