SCHEMBL4186906

SCHEMBL4186906

COc1ccc(N(Cc2cccnc2)c2ccc([N+](=O)[O-])c(C(=O)OC(C)(C)C)c2)cc1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.50
PDE4D Q08499 10/20 0.50
PDE4B Q07343 10/20 0.50
PDE4C Q08493 9/20 0.50
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PDK1 Q15118 1/20 0.37

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
SCHEMBL4204604 0.91 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4196690 0.90 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL4194418 0.89 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4196565 0.88 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL4199757 0.88 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4193644 0.87 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL4198697 0.87 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL4206155 0.86 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL4193004 0.85 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL7129445 0.84 PDE4A (0.49) PDE4APDE4DPDE4BPDE4CMKNK1

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
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 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 (2 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-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4D 8/4885PDE4B 2/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4D 8/4885PDE4B 2/4885

“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.