SCHEMBL4196417

SCHEMBL4196417

COc1ccc(N(Cc2cccnc2)c2ccc(C(=O)NS(C)(=O)=O)cc2)cc1OC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
CXCR3 P49682 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTAFR P25105 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL4192730 0.93 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4202252 0.91 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4200638 0.91 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4188431 0.91 CXCR3 (0.47) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4199690 0.89 GAA (0.44) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4205135 0.89 LTC4S (0.41) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4200614 0.89 GAA (0.44) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4199894 0.89 PDE4A (0.58) PDE4BPDE4APDE4CPDE4DCXCR3
SCHEMBL4193854 0.88 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4196473 0.88 NAMPT (0.42) PDE4BPDE4APDE4CPDE4DCXCR3

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 PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4A 1/4885PDE4C 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.