SCHEMBL4058019

SCHEMBL4058019

Cc1cc(C(N)=O)nn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.64
NPY5R Q15761 1/20 0.58
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CYP2C9 P11712 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5359936 0.88 SCN9A (0.73) SCN9AMAPK1CYP2C9CYP3A4CYP2D6
SCHEMBL1259296 0.86 ALDH1A1 (0.64) SCN9ANPY5RMAPK1L3MBTL1ALDH1A1
SCHEMBL17324802 0.86 NPY5R (0.61) SCN9ANPY5RMAPK1ALDH1A1
SCHEMBL31420268 0.86 L3MBTL1 (0.51) SCN9ANPY5RMAPK1L3MBTL1ALDH1A1
SCHEMBL15167854 0.84 L3MBTL1 (0.64) SCN9ANPY5RL3MBTL1
SCHEMBL20788274 0.84 SCN9A (0.55) SCN9ANPY5RMAPK1CYP2C9CYP3A4
SCHEMBL4489535 0.83 SCN9A (0.60) SCN9ANPY5RL3MBTL1CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL6312219 0.82 SLC9A1 (0.54) SCN9ANPY5RMAPK1CYP2C9ALDH1A1
SCHEMBL11700031 0.81 SCN9A (0.55) SCN9AMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL17321483 0.81 NPY5R (0.56) SCN9ANPY5RMAPK1ALDH1A1

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 7 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
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US 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
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US 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 SCN9A 2757/4885NPY5R 73/4885MAPK1 925/4885
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 SCN9A 518/4885NPY5R 25/4885MAPK1 823/4885

“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.