SCHEMBL2924636

SCHEMBL2924636

CCOc1cc(N(C(=O)c2cccnc2)c2ccc(C(=O)O)cc2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 5/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2931570 0.93 TSHR (0.46) TSHRL3MBTL1HTTKMT2AALDH1A1
SCHEMBL2931542 0.88 PDE4A (0.42) HTTKMT2AALDH1A1GAAMAPT
SCHEMBL2926179 0.88 PDE4B (0.44) KMT2AALDH1A1GAAMAPT
SCHEMBL2928464 0.86 GAA (0.44) TSHRKMT2AALDH1A1GAAMAPT
SCHEMBL2932540 0.84 CYP1A1 (0.48) TSHRHTTKMT2AALDH1A1GAA
SCHEMBL2926131 0.83 MAPK1 (0.42) TSHRL3MBTL1HTTKMT2AALDH1A1
SCHEMBL2932678 0.82 PDE4A (0.55)
SCHEMBL2930361 0.82 PDE4A (0.53)
SCHEMBL2926110 0.82 HTT (0.43) TSHRHTTKMT2AALDH1A1GAA
SCHEMBL2930368 0.81 LTC4S (0.45) HTTKMT2AALDH1A1GAAMAPT

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 16 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
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US 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 TSHR 2081/4885L3MBTL1 2213/4885HTT 4554/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B TSHR 1016/4885L3MBTL1 2335/4885HTT 4352/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B TSHR 2485/4885L3MBTL1 2436/4885HTT 4698/4885

“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.