SCHEMBL1934700

SCHEMBL1934700

[O-][n+]1ccc(-c2c(F)cccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
SCN9A Q15858 2/20 0.36
S1PR1 P21453 1/20 0.34
PTPN1 P18031 1/20 0.33
FABP4 P15090 1/20 0.33
TTR P02766 1/20 0.33
PDK2 Q15119 1/20 0.32
KIF11 P52732 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPK14 Q16539 1/20 0.30
SCN5A Q14524 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL1934911 0.81 ABL1 (0.36) SCN9AS1PR1FABP4PDK2HSD11B1
SCHEMBL5123247 0.80 TRPA1 (0.49) TRPA1SCN9APTPN1FABP4TTR
SCHEMBL30568365 0.77 TRPA1 (0.47) TRPA1SCN9APTPN1PDK2KIF11
SCHEMBL24196850 0.75 TRPA1 (0.49) TRPA1SCN9APTPN1FABP4TTR
SCHEMBL1935935 0.75 TRPA1 (0.49) TRPA1SCN9APTPN1KIF11HSD11B1
SCHEMBL1934699 0.72 TRPA1 (0.43) TRPA1SCN9AS1PR1PDK2
SCHEMBL30270504 0.72 TRPA1 (0.47) TRPA1SCN9ATTRKIF11SLC22A12
SCHEMBL30269808 0.72 KIF11 (0.59) TRPA1KIF11
SCHEMBL28160302 0.71 KIF11 (0.57) TRPA1KIF11SLC22A12
SCHEMBL5426914 0.70 KIF11 (0.43) S1PR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
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
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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 324/4885SCN9A 3140/4885S1PR1 1947/4885

“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.