SCHEMBL4525342

SCHEMBL4525342

COc1ccc(C2(C#N)CCc3c(cnn3-c3ccccc3)C2)c2c1oc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 4/20 0.36
HDAC9 Q9UKV0 1/20 0.35
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC2A1 P11166 1/20 0.31
SLC2A3 P11169 1/20 0.31
OGA O60502 1/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.31
PDE4B Q07343 2/20 0.30

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
SCHEMBL12316268 0.85 HDAC9 (0.35) USP7HDAC9CYP17A1CYP19A1CYP11B1
SCHEMBL4011513 0.82 CYP17A1 (0.32) CYP17A1CYP19A1CYP11B1CYP11B2CA9
SCHEMBL4013156 0.80 HRH4 (0.33) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL4018297 0.79 CYP17A1 (0.33) HDAC9CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4526001 0.79 PDE4B (0.33) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL4016579 0.79 MAOA (0.33) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL14865178 0.79 PDE4B (0.33) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL4012783 0.77 MAOA (0.43) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL4163937 0.77 MEN1 (0.38) CYP17A1CYP19A1CYP11B1CYP11B2CA9
SCHEMBL4013462 0.76 MAOA (0.36) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E

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 12 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
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 USP7 1443/4885HDAC9 144/4885CYP17A1 521/4885

“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.