SCHEMBL4537205

SCHEMBL4537205

COc1ccc(C2(C#N)CCc3nc(C)n(CC(=O)O)c(=O)c3C2)c2c1oc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDE4B Q07343 3/20 0.35
HDAC6 Q9UBN7 1/20 0.34
AKR1B10 O60218 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
EDNRB P24530 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 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
SCHEMBL8212482 0.92 POLB (0.36) NPC1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4017282 0.87 HDAC6 (0.44) NPC1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4011948 0.86 PDE4B (0.34) NPC1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4519628 0.86 ALDH1A1 (0.36) CYP17A1CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL4524475 0.83 PDE4B (0.34) CYP17A1CYP19A1CYP11B1CYP11B2PDE4B
SCHEMBL4017828 0.81 TNKS (0.35) NPC1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL8201409 0.81 POLB (0.43) NPC1HDAC6ALDH1A1HSD17B10KDM4E
SCHEMBL4016542 0.80 CYP19A1 (0.37) NPC1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4513853 0.79 ALDH1A1 (0.43) CYP17A1CYP19A1CYP11B1CYP11B2HDAC6
SCHEMBL14856886 0.79 HSD17B10 (0.34) NPC1CYP17A1CYP19A1CYP11B1CYP11B2

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 5 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
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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US 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 NPC1 4500/4885CYP17A1 521/4885CYP19A1 320/4885

“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.