SCHEMBL1201929

SCHEMBL1201929

Cc1c([N+](=O)[O-])cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.42
SCN9A Q15858 2/20 0.40
SCN5A Q14524 1/20 0.38
PLA2G7 Q13093 4/20 0.37
BRAF P15056 3/20 0.37
KDR P35968 3/20 0.37
RAF1 P04049 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1201908 0.90 PIN1 (0.44) PIN1SCN9ASCN5APLA2G7BRAF
SCHEMBL16976165 0.83 SCN9A (0.41) SCN9ASCN5APLA2G7BRAFKDR
SCHEMBL1200388 0.80 SCN9A (0.39) PIN1SCN9ASCN5APLA2G7BRAF
SCHEMBL1201480 0.79 KDR (0.43) PIN1SCN9APLA2G7BRAFKDR
SCHEMBL1201593 0.79 BRAF (0.44) SCN9ASCN5APLA2G7BRAFKDR
SCHEMBL31625774 0.74 PIN1 (0.40) PIN1PLA2G7MAPT
SCHEMBL16976170 0.74 SCN9A (0.43) SCN9ASCN5APLA2G7BRAFKDR
SCHEMBL14135770 0.74 CCR2 (0.40) PIN1SCN9ASCN5APLA2G7BRAF
SCHEMBL1201389 0.74 PLA2G7 (0.49) PLA2G7
SCHEMBL6488771 0.73 TDP1 (0.47) SCN9APLA2G7MEN1TTRPPOX

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 7 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-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

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 PIN1 1945/4885SCN9A 2067/4885SCN5A 2584/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO PIN1 1908/4885SCN9A 2250/4885SCN5A 2544/4885

“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.