SCHEMBL12439817

SCHEMBL12439817

Cc1ccc(C(F)(F)F)c(-c2ccnc(/C(N)=N/O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.38
CYP2C9 P11712 2/20 0.36
SCN5A Q14524 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
AR P10275 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
PLAU P00749 1/20 0.33
KDR P35968 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
TNF P01375 1/20 0.32
PKM P14618 1/20 0.32
CDK5 Q00535 1/20 0.32
KLF5 Q13887 1/20 0.32

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
SCHEMBL1935777 0.87 SCN9A (0.44) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL12439797 0.87 SCN9A (0.44) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL12514481 0.86 SCN9A (0.49) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL1935109 0.86 SCN9A (0.49) SCN9ACYP2C9SCN5ACYP3A4CYP2D6
SCHEMBL12439827 0.84 GAA (0.40) SCN9ACYP2C9SCN5ACYP3A4NTRK1
SCHEMBL1935230 0.84 GAA (0.40) SCN9ACYP2C9SCN5ACYP3A4NTRK1
SCHEMBL12439746 0.83 SCN9A (0.48) SCN9ACYP3A4CYP2D6ARSCN10A
SCHEMBL1934839 0.83 SCN9A (0.48) SCN9ACYP3A4CYP2D6ARSCN10A
SCHEMBL12439757 0.83 SLC9A1 (0.40) NTRK1PIM1NPC1RAB9APLAU
SCHEMBL12439786 0.79 TRPA1 (0.43) SCN9ASCN10ANPC1GAARAB9A

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 1 patent. 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

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 3140/4885CYP2C9 341/4885SCN5A 2328/4885

“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.