SCHEMBL4196704

SCHEMBL4196704

COc1ccc(N(Cc2cccnc2)c2ccc(C(=O)O)cc2)cc1OC(C)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
NOX1 Q9Y5S8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 3/20 0.41
PTAFR P25105 2/20 0.41
MAPT P10636 1/20 0.40
RXRA P19793 1/20 0.39
QPCT Q16769 1/20 0.39

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
SCHEMBL4191189 0.88 RXRA (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4190538 0.85 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3131330 0.85 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4196833 0.84 SYK (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4193526 0.83 L3MBTL1 (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3123134 0.81 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3129550 0.81 TSHR (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4190635 0.81 GRM2 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4188436 0.80 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL1157397 0.79 RXRA (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1

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 9 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 claimed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP claimed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US claimed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO claimed
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 1/4885PDE4B 2/4885PDE4C 7/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885

“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.