SCHEMBL3333253

SCHEMBL3333253

COc1ccc2nccc(C#CC(N)=O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KCNH2 Q12809 4/20 0.33
MAP4K4 O95819 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PGK1 P00558 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ENPP1 P22413 1/20 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
SCHEMBL3333259 0.78 CYP2A6 (0.43) KCNH2MAP4K4
SCHEMBL589875 0.78 KCNH2 (0.34) KCNH2MAP4K4
SCHEMBL3170198 0.78 EGFR (0.34) MEN1KMT2AKCNH2MAP4K4
SCHEMBL5826544 0.76 NNMT (0.54) NNMTKDM4EMTNR1AMTNR1BMAP4K4
SCHEMBL3154945 0.76 EGFR (0.36) MEN1KMT2AKCNH2MAP4K4
Hydrochloric Acid SCHEMBL6756852 0.75 NNMT (0.53) NNMTKDM4EMTNR1AMTNR1BMAP4K4
SCHEMBL592642 0.73 PTPN11 (0.42) KDM4EMTNR1AMTNR1BKCNH2POLB
SCHEMBL1148019 0.73 KCNH2 (0.39) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1148017 0.73 KCNH2 (0.39) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
Oxalic Acid SCHEMBL5635184 0.73 NNMT (0.50) NNMTKDM4EMTNR1AMTNR1BMAP4K4

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-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP claimed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US claimed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP claimed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY NNMT 4515/4885MEN1 1250/4885KMT2A 3898/4885

“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.