SCHEMBL4457589

SCHEMBL4457589

CCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3nc4c(C)cccc4s3)C2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ACHE P22303 4/20 0.44
BCHE P06276 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GRIN2B Q13224 2/20 0.42
SLC2A1 P11166 1/20 0.42
DUSP3 P51452 1/20 0.42
TP53 P04637 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
SCHEMBL4460585 0.94 SMN1; SMN2 (0.47) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL13405851 0.86 ALDH1A1 (0.43) ALDH1A1GAALMNAALOX15MAPK1
SCHEMBL3550608 0.86 SMN1; SMN2 (0.46) ALDH1A1GAALMNAALOX15MAPK1
SCHEMBL8269427 0.83 KMT2A (0.40) ALDH1A1GAALMNAALOX15MAPK1
SCHEMBL4457353 0.83 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL4462149 0.83 SMN1; SMN2 (0.48) ALDH1A1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL8268532 0.82 ALDH1A1 (0.44) ALDH1A1GAALMNAALOX15MAPK1
SCHEMBL4466727 0.82 SMN1; SMN2 (0.48) ALDH1A1LMNAALOX15MAPK1KMT2A
SCHEMBL4460922 0.80 KMT2A (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3547736 0.80 PDE4A (0.42) ALDH1A1LMNAMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US claimed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP claimed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US claimed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 ALDH1A1 448/4885GAA 2299/4885LMNA 3558/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A ALDH1A1 395/4885GAA 586/4885LMNA 2697/4885

“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.