SCHEMBL4018397

SCHEMBL4018397

COc1ccc(C2(C#N)CCC(=NOCC(=O)O)CC2)c2c1oc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MAOA P21397 3/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MIF P14174 1/20 0.33
HPGD P15428 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4013462 0.86 MAOA (0.36) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL12316297 0.84 ALDH1A1 (0.33) PDE4BALDH1A1MAOAKDM4ELMNA
Bicarbonate SCHEMBL14856672 0.81 MAOA (0.39) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL4012783 0.81 MAOA (0.43) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL4008944 0.79 PDE4B (0.48) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL4515229 0.78 MAOA (0.37) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL4524475 0.77 PDE4B (0.34) PDE4BALDH1A1KDM4ELMNAMIF
SCHEMBL4520437 0.76 PDE4B (0.35) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL4012666 0.75 PDE4B (0.37) PDE4BALDH1A1MAOAKDM4ELMNA
SCHEMBL6089966 0.75 PDE4A (0.57) PDE4BALDH1A1LMNAHPGDPDE4A

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-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP claimed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US claimed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US claimed
EP-2074106-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 Matrix Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008032171-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MATRIX LABORATORIES LTD. (DE) 2008-03-20 WO claimed
EP-2074106-B1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LAB LTD (IN) 2013-04-17 EP disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US disclosed
WO-2008032171-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MATRIX LABORATORIES LTD. (DE) 2008-03-20 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 PDE4B 2/4885ALDH1A1 234/4885MAOA 148/4885

“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.