SCHEMBL4198518

SCHEMBL4198518

COc1ccc(N(Cc2cccnc2)c2cccc(C(=O)O)c2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.47
CYP1A2 P05177 3/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PDK1 Q15118 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
KMO O15229 1/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4188436 0.92 ALDH1A1 (0.47) GRM2CYP1A2CYP1A1CYP1B1PDK1
SCHEMBL4190655 0.92 ALDH1A1 (0.50) GRM2CYP1A2PDE4APDE4BPDE4C
SCHEMBL4204742 0.91 ALDH1A1 (0.45) GRM2CYP1A2CYP1A1CYP1B1PDK1
SCHEMBL2909823 0.89 MEP1B (0.49) GRM2CYP1A2PDE4APDE4BPDE4C
SCHEMBL2907011 0.89 GRM2 (0.46) GRM2CYP1A2PDK1PDE4APDE4B
SCHEMBL1157752 0.88 GRM2 (0.44) GRM2CYP1A2CYP1A1CYP1B1PDK1
SCHEMBL1157560 0.88 PDE4A (0.49) PDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL3129016 0.87 TSHR (0.50) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL4186765 0.87 GRM2 (0.47) GRM2PDE4APDE4BPDE4CPDE4D
SCHEMBL7948462 0.87 GRM2 (0.49) GRM2PDK1ALDH1A1L3MBTL1KMO

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 10 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
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 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 GRM2 3228/4885CYP1A2 151/4885CYP1A1 224/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A GRM2 3228/4885CYP1A2 151/4885CYP1A1 224/4885

“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.