SCHEMBL1201593

SCHEMBL1201593

Cc1cc([N+](=O)[O-])cnc1Oc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.44
KDR P35968 3/20 0.44
ALDH1A1 P00352 2/20 0.43
PLA2G7 Q13093 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 3/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SCN5A Q14524 1/20 0.40
FAAH O00519 1/20 0.39
RAF1 P04049 1/20 0.38
MAPK3 P27361 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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 0.82 PIN1 (0.44) BRAFKDRALDH1A1PLA2G7MEN1
SCHEMBL15195568 0.82 BRAF (0.46) BRAFKDRPLA2G7SCN9AMAPT
SCHEMBL1201059 0.80 POLB (0.47) BRAFKDRPLA2G7SCN9AMAPT
SCHEMBL1201929 0.79 PIN1 (0.42) BRAFKDRALDH1A1PLA2G7MEN1
SCHEMBL875002 0.78 PLA2G7 (0.55) BRAFALDH1A1PLA2G7MEN1KMT2A
SCHEMBL1201480 0.77 KDR (0.43) BRAFKDRPLA2G7MEN1KMT2A
SCHEMBL22009637 0.77 HTT (0.42) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL29716278 0.77 HTT (0.42) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16976170 0.77 SCN9A (0.43) BRAFKDRPLA2G7SCN9ASCN5A
SCHEMBL22009630 0.75 HTT (0.50) ALDH1A1MEN1KMT2AMAPTLMNA

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 BRAF 4134/4885KDR 4462/4885ALDH1A1 153/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO BRAF 4154/4885KDR 4453/4885ALDH1A1 171/4885

“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.