SCHEMBL12439786

SCHEMBL12439786

N/C(=N\O)c1cc(-c2ccc(F)cc2C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
GRM5 P41594 6/20 0.39
PTPRB P23467 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KDM1A O60341 1/20 0.37
WNT3A P56704 2/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
SCN9A Q15858 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL1935000 1.00 TRPA1 (0.43) TRPA1GRM5PTPRBAKR1C3AKR1C2
SCHEMBL12439797 0.89 SCN9A (0.44) TRPA1KDM1ASCN9ASCN10ANPC1
SCHEMBL1935777 0.89 SCN9A (0.44) TRPA1KDM1ASCN9ASCN10ANPC1
SCHEMBL1934577 0.88 ALOX5AP (0.44) AKR1C3AKR1C2ALOX5APFEN1SCN9A
SCHEMBL12439755 0.88 ALOX5AP (0.44) AKR1C3AKR1C2ALOX5APFEN1SCN9A
SCHEMBL1935601 0.87 SCN9A (0.44) GRM5AKR1C3AKR1C2SCN9ASCN10A
SCHEMBL12439765 0.87 SCN9A (0.44) GRM5AKR1C3AKR1C2SCN9ASCN10A
SCHEMBL1934839 0.85 SCN9A (0.48) TRPA1ALOX5APFEN1SCN9ASCN10A
SCHEMBL12439746 0.85 SCN9A (0.48) TRPA1ALOX5APFEN1SCN9ASCN10A
SCHEMBL12439761 0.84 GAA (0.43) AKR1C3AKR1C2SCN9ANPC1GAA

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 3 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

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 324/4885GRM5 2189/4885PTPRB 1663/4885

“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.