SCHEMBL1200388

SCHEMBL1200388

Cc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
CHEK2 O96017 2/20 0.39
MERTK Q12866 1/20 0.38
PLA2G7 Q13093 5/20 0.38
PIN1 Q13526 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDR P35968 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
EPAS1 Q99814 1/20 0.34
S1PR4 O95977 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
SCHEMBL14135770 0.85 CCR2 (0.40) SCN9ASCN5ACHEK2MERTKPLA2G7
SCHEMBL1201389 0.85 PLA2G7 (0.49) PLA2G7
SCHEMBL15195548 0.83 SCN9A (0.41) SCN9ASCN5ACHEK2MERTKPLA2G7
SCHEMBL1202006 0.83 PLA2G7 (0.39) SCN9ASCN5ACHEK2MERTKPLA2G7
SCHEMBL1201382 0.83 CHEK2 (0.38) SCN9ASCN5ACHEK2MERTKPLA2G7
SCHEMBL1201811 0.81 SCN9A (0.40) SCN9ASCN5ACHEK2PLA2G7KDR
SCHEMBL12878795 0.80 PLA2G7 (0.38) SCN9ASCN5ACHEK2MERTKPLA2G7
SCHEMBL1201929 0.80 PIN1 (0.42) SCN9ASCN5APLA2G7PIN1MEN1
SCHEMBL1201908 0.78 PIN1 (0.44) SCN9ASCN5AMERTKPLA2G7PIN1
SCHEMBL23243747 0.74 MERTK (0.48) MERTKPIN1MEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-12-19 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO 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 (2 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO SCN9A 2067/4885SCN5A 2584/4885CHEK2 4280/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO SCN9A 2250/4885SCN5A 2544/4885CHEK2 4206/4885

“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.