SCHEMBL5440401

SCHEMBL5440401

COC(=O)c1ncc(-c2cccc(-c3ccccc3C(F)(F)F)c2)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.74
NPY5R Q15761 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
FFAR1 O14842 1/20 0.41
ABL1 P00519 2/20 0.41
SRC P12931 2/20 0.41
CFTR P13569 1/20 0.40
SCN2A Q99250 1/20 0.39
DGAT1 O75907 1/20 0.39
S1PR1 P21453 2/20 0.39
NR1H2 P55055 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
CTSA P10619 1/20 0.39

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
SCHEMBL5448133 0.85 SCN9A (1.00) SCN9ANPY5RSCN10AFFAR1SCN2A
SCHEMBL14564397 0.79 SCN9A (0.52) SCN9ASCN10ACFTR
SCHEMBL7823276 0.76 PDK2 (0.57) SCN9ANR1H2
SCHEMBL22307353 0.71 SCN9A (0.48) SCN9ANPY5RSCN10ASCN2A
SCHEMBL3343465 0.70 NOTUM (0.50) SCN9A
SCHEMBL5934523 0.69 PDK2 (0.49) CFTR
SCHEMBL4972843 0.68 CFTR (0.58) ABL1CFTR
SCHEMBL5964032 0.66 OXTR (0.48) SCN9A
SCHEMBL21609778 0.66 NOTUM (0.57) SCN9A
SCHEMBL423796 0.66 AKR1C3 (0.62) SCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 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 (1 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-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 70/4885NPY5R 635/4885SCN10A 69/4885

“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.