SCHEMBL4063308

SCHEMBL4063308

CCCC(NC(=O)C(CC(C)C)C(CCC)C(=O)OC(C)(C)C)C(=O)Nc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MME P08473 2/20 0.39
EGFR P00533 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
MMP1 P03956 2/20 0.34
RAF1 P04049 1/20 0.33
CTSK P43235 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
CA12 O43570 1/20 0.33
NPR3 P17342 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL26713282 0.70 HDAC8 (0.46) MMECTSKAAK1
SCHEMBL30443710 0.70 HDAC8 (0.46) MMECTSKAAK1
SCHEMBL4054820 0.67 ADORA3 (0.50) KDM4EMAPK1CTSKADORA3ADORA2A
Tert-Butyl Formate SCHEMBL27799795 0.67 MAPT (0.40) ALPLMAPTNPSR1MAPK1RAF1
SCHEMBL4430204 0.66 MAPT (0.45) ALPLMAPTMMEMAPK1RAF1
SCHEMBL4756625 0.66 PSEN1 (0.45) MAPTKMT2ANPSR1MMEMAPK1
SCHEMBL4698884 0.65 ACR (0.47) MMEADORA3ADORA2AADORA2BADORA1
SCHEMBL4697067 0.65 PSEN1 (0.47) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4058001 0.65 ADORA1 (0.45) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4058916 0.64 ADORA1 (0.50) MAPTKDM4EKMT2AADORA3ADORA2A

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 8 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
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
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP 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 ALPL 4804/4885MAPT 22/4885KDM4E 4222/4885
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 ALPL 4845/4885MAPT 36/4885KDM4E 3471/4885

“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.