SCHEMBL2928735

SCHEMBL2928735

COc1ccc(N(C(=O)c2cccnc2)c2cccc(C(=O)O)c2)cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 3/20 0.39
KMO O15229 1/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
POLB P06746 2/20 0.39
BRPF1 P55201 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
SCHEMBL2928464 0.93 GAA (0.44) ALDH1A1GAAMAPTKMT2ACYP1A1
SCHEMBL2932540 0.92 CYP1A1 (0.48) ALDH1A1GAAMAPTKMT2ACYP1A1
SCHEMBL2932689 0.87 ALDH1A1 (0.42) ALDH1A1GAAMAPTKMT2ACYP1A1
SCHEMBL2931570 0.86 TSHR (0.46) ALDH1A1GAAMAPTKMT2ACYP1A1
SCHEMBL2930370 0.85 MAPT (0.44) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL2926131 0.84 MAPK1 (0.42) ALDH1A1GAAMAPTKMT2ACYP1A1
SCHEMBL4190635 0.83 GRM2 (0.44) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL2926085 0.83 PDE4A (0.57)
SCHEMBL2931161 0.83 PDE4A (0.54) ALDH1A1GAAMAPTKMT2AMKNK1
SCHEMBL2930368 0.82 LTC4S (0.45) ALDH1A1GAAMAPTKMT2AHTT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP claimed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US claimed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US claimed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US claimed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP claimed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US claimed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO claimed
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP disclosed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US disclosed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US disclosed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP disclosed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 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 (3 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-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B ALDH1A1 349/4885GAA 1651/4885MAPT 4474/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B ALDH1A1 1154/4885GAA 3954/4885MAPT 4656/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B ALDH1A1 340/4885GAA 1493/4885MAPT 4529/4885

“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.