SCHEMBL12439865

SCHEMBL12439865

O=c1[nH]c(-c2cc(-c3c(F)cccc3C(F)(F)F)ccn2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
KMO O15229 1/20 0.39
SCN9A Q15858 2/20 0.35
MAPK14 Q16539 2/20 0.35
SCN5A Q14524 1/20 0.35
DHODH Q02127 1/20 0.35
ALOX5 P09917 1/20 0.34
TGFBR1 P36897 1/20 0.34
CMA1 P23946 1/20 0.34
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
RPS6KA4 O75676 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHEK2 O96017 1/20 0.33
EGFR P00533 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
SCHEMBL12439879 0.88 KMO (0.46) KMOSCN9ASCN5AEDNRBEDNRA
SCHEMBL12439856 0.84 TGFBR1 (0.40) KMOSCN9AMAPK14ALOX5TGFBR1
SCHEMBL1935092 0.83 TGFBR1 (0.47) TRPA1KMOSCN9ATGFBR1
SCHEMBL12439875 0.83 KMO (0.44) KMOMAPK14ALOX5KDRMAPKAPK2
SCHEMBL12439886 0.82 TRPA1 (0.41) TRPA1KMOSCN9AMAPK14DHODH
SCHEMBL1936339 0.80 TRPA1 (0.44) TRPA1KMOSCN9AMAPK14SCN5A
SCHEMBL1935751 0.79 NOTUM (0.45) KMOMAPK14TGFBR1MAPK13MAPK9
SCHEMBL1935063 0.79 DHODH (0.47) KMOMAPK14DHODHALOX5TGFBR1
SCHEMBL12439881 0.79 TRPA1 (0.40) TRPA1KMODHODHALOX5MAPKAPK2
SCHEMBL12439874 0.79 TRPA1 (0.40) TRPA1KMOSCN9ADHODHALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 TRPA1 324/4885KMO 632/4885SCN9A 3140/4885

“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.