SCHEMBL4063019

SCHEMBL4063019

CC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.49
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB10 P40306 1/20 0.49
PSMB2 P49721 1/20 0.49
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
PTGES O14684 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PARP1 P09874 1/20 0.42
FFAR1 O14842 4/20 0.42
CYP3A4 P08684 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 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
SCHEMBL4063405 0.90 MME (0.45) PSMB5PSMB1PSMB8PSMB9PSMB10
SCHEMBL4060451 0.90 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4062589 0.88 CACNA1G (0.44) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4056067 0.87 FFAR2 (0.48) ADORA3ADORA2AADORA2BADORA1PRKACA
SCHEMBL4059202 0.86 FNTA (0.45) PSMB5PSMB1PSMB8PSMB9PSMB10
SCHEMBL4057461 0.83 PSEN1 (0.48) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4065957 0.82 PSEN1 (0.47) ADORA3ADORA2AADORA2BADORA1MME
SCHEMBL5383791 0.81 CACNA1H (0.45) ADORA3ADORA2AADORA2BADORA1PTGES
SCHEMBL4063038 0.81 FFAR2 (0.47) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4063999 0.81 MET (0.44) ADORA3ADORA2AADORA2BADORA1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 PSMB5 1436/4885PSMB1 2751/4885PSMB8 2828/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 PSMB5 34/4885PSMB1 382/4885PSMB8 968/4885

“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.