SCHEMBL2932689

SCHEMBL2932689

COc1cc(N(C(=O)c2cccnc2)c2cccc(C(=O)O)c2)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
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
HTT P42858 2/20 0.40
MAPK1 P28482 3/20 0.39
MEN1 O00255 2/20 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
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2930370 0.94 MAPT (0.44) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL2932540 0.91 CYP1A1 (0.48) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL2926110 0.90 HTT (0.43) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL2928735 0.87 ALDH1A1 (0.43) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL2929450 0.87 MAPT (0.46) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL2931281 0.86 PDE4A (0.54) KMT2AGAAMAPTPOLBLMNA
SCHEMBL2930583 0.85 PDE4D (0.56)
SCHEMBL2930365 0.84 KMT2A (0.41) ALDH1A1KMT2AGAAMAPTPOLB
SCHEMBL3200102 0.84 PDE4B (0.45) ALDH1A1KMT2AMAPTPOLBLMNA
SCHEMBL2931570 0.83 TSHR (0.46) ALDH1A1KMT2AGAAMAPTPOLB

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 12 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
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US 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-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 ALDH1A1 349/4885KMT2A 2601/4885GAA 1651/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B ALDH1A1 1154/4885KMT2A 3293/4885GAA 3954/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B ALDH1A1 340/4885KMT2A 2837/4885GAA 1493/4885

“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.