SCHEMBL4519628

SCHEMBL4519628

CCC(C(=O)O)n1c(C)nc2c(c1=O)CC(C#N)(c1ccc(OC)c3oc4ccccc4c13)CC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 3/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP17A1 P05093 2/20 0.35
MAPT P10636 5/20 0.32
PDE4B Q07343 2/20 0.32
TP53 P04637 1/20 0.32
PDE10A Q9Y233 1/20 0.32
EDNRB P24530 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4513853 0.87 ALDH1A1 (0.43) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL4537205 0.86 NPC1 (0.36) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL8212482 0.84 POLB (0.36) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL4011948 0.83 PDE4B (0.34) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL4531869 0.82 PDE4B (0.33) ALDH1A1MAPTPDE4BMEN1KMT2A
SCHEMBL4017282 0.80 HDAC6 (0.44) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL4524475 0.79 PDE4B (0.34) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL4017828 0.79 TNKS (0.35) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL14856886 0.78 HSD17B10 (0.34) ALDH1A1CYP19A1CYP11B1CYP11B2CYP17A1
SCHEMBL8201409 0.78 POLB (0.43) ALDH1A1MAPTTP53CYP1A2CYP2C9

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 4 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 US claimed
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 ALDH1A1 234/4885CYP19A1 320/4885CYP11B1 722/4885

“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.