SCHEMBL3333259

SCHEMBL3333259

COc1ccc2nccc(C#CCN)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.43
CYP2E1 P05181 4/20 0.43
CYP2B6 P20813 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 4/20 0.36
CYP2C8 P10632 3/20 0.36
CYP3A4 P08684 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAP4K4 O95819 1/20 0.35
KCNH2 Q12809 3/20 0.34
EGFR P00533 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
SCHEMBL589875 0.86 KCNH2 (0.34) MAP4K4KCNH2EGFR
SCHEMBL3170198 0.80 EGFR (0.34) MAP4K4KCNH2EGFR
SCHEMBL3333253 0.78 NNMT (0.38) MAP4K4KCNH2
SCHEMBL3154945 0.78 EGFR (0.36) MAP4K4KCNH2EGFR
SCHEMBL592642 0.75 PTPN11 (0.42) KCNH2
SCHEMBL5749363 0.75 LOXL2 (0.44) LOXLOXL2MAP4K4KCNH2
SCHEMBL591651 0.72 KCNH2 (0.48) LOXLOXL2KCNH2
SCHEMBL590199 0.72 MAP4K4 (0.44) LOXLOXL2MAP4K4KCNH2EGFR
Hydrochloric Acid SCHEMBL5654687 0.71 MAP4K4 (0.43) LOXLOXL2MAP4K4KCNH2EGFR
Hydrochloric Acid SCHEMBL3578561 0.71 MAP4K4 (0.43) LOXLOXL2MAP4K4KCNH2EGFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2A6 86/4885CYP2E1 116/4885CYP2B6 40/4885

“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.