SCHEMBL12439758

SCHEMBL12439758

N/C(=N\O)c1cc(-c2cccc(C(F)(F)F)c2F)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.42
SCN9A Q15858 4/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2B Q13224 8/20 0.37
RIPK1 Q13546 1/20 0.37
KDM1A O60341 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL1935769 1.00 MPL (0.42) MPLSCN9ASCN10AGAANPC1
SCHEMBL1934839 0.88 SCN9A (0.48) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL12439746 0.88 SCN9A (0.48) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL12439814 0.82 SCN9A (0.46) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL1935089 0.82 SCN9A (0.46) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL1935683 0.82 SCN9A (0.46) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL12439780 0.82 SCN9A (0.46) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL1935000 0.82 TRPA1 (0.43) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL1935777 0.82 SCN9A (0.44) SCN9ASCN10AGAANPC1RAB9A
SCHEMBL12439786 0.82 TRPA1 (0.43) SCN9ASCN10AGAANPC1RAB9A

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 MPL 3986/4885SCN9A 3140/4885SCN10A 3517/4885

“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.