SCHEMBL12439746

SCHEMBL12439746

N/C(=N\O)c1cc(-c2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
BACE1 P56817 1/20 0.43
TGFBR1 P36897 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 1/20 0.40
TRPA1 O75762 3/20 0.40
KMO O15229 2/20 0.40

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
SCHEMBL1934839 1.00 SCN9A (0.48) SCN9ASCN10ABACE1TGFBR1USP2
SCHEMBL1935769 0.88 MPL (0.42) SCN9ASCN10AGAATDP1NPC1
SCHEMBL12439758 0.88 MPL (0.42) SCN9ASCN10AGAATDP1NPC1
SCHEMBL1935000 0.85 TRPA1 (0.43) SCN9ASCN10AALOX5APFEN1GAA
SCHEMBL12439786 0.85 TRPA1 (0.43) SCN9ASCN10AALOX5APFEN1GAA
SCHEMBL1935777 0.85 SCN9A (0.44) SCN9ASCN10ACYP3A4CYP2D6GAA
SCHEMBL12439797 0.85 SCN9A (0.44) SCN9ASCN10ACYP3A4CYP2D6GAA
SCHEMBL1934577 0.84 ALOX5AP (0.44) SCN9ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL1935109 0.84 SCN9A (0.49) SCN9ASCN10AALDH1A1CYP1A2CYP3A4
SCHEMBL12514481 0.84 SCN9A (0.49) SCN9ASCN10AALDH1A1CYP1A2CYP3A4

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 4 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
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 SCN9A 3140/4885SCN10A 3517/4885BACE1 2920/4885

“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.