SCHEMBL4056302

SCHEMBL4056302

O=C(Cc1cc(F)cc(F)c1)NC(C(=O)Nc1cc(-c2ccccc2)n[nH]1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
SIGMAR1 Q99720 1/20 0.41
MET P08581 1/20 0.39
MAPK8 P45983 1/20 0.39
GFRA2 O00451 2/20 0.38
GFRA3 O60609 2/20 0.38
CDK2 P24941 2/20 0.38
FAAH O00519 1/20 0.38
MAPK14 Q16539 2/20 0.37
MAPK11 Q15759 1/20 0.37
PYGL P06737 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37

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
SCHEMBL4055360 0.85 MAPK8 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4057461 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4065579 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4065957 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4066862 0.80 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4056067 0.75 FFAR2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4062682 0.74 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5399504 0.73 CA12 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4060451 0.72 ADORA3 (0.48) MAPK14CDK5ADORA3ADORA2AADORA2B
SCHEMBL4054478 0.72 ELOVL1 (0.46) MAPK14CDK5ADORA3ADORA2AADORA2B

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 PSEN1 4/4885PSEN2 7/4885APH1B 10/4885
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 PSEN1 3/4885PSEN2 5/4885APH1B 6/4885

“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.