SCHEMBL4624909

SCHEMBL4624909

FC(F)(F)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2I)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SCN9A Q15858 6/20 0.33
THRB P10828 1/20 0.32
LIPE Q05469 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31

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
Pyridalyl SCHEMBL29354972 0.93 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
Pyridalyl SCHEMBL83386 0.93 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL7076327 0.91 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL7078841 0.90 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL7074999 0.90 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL7075429 0.88 KMT2A (0.36) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL7073130 0.86 KMT2A (0.36) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL8409017 0.86 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL8409018 0.86 KMT2A (0.39) KMT2AL3MBTL1MAPK1MRGPRX4SCN9A
SCHEMBL6408724 0.86 MRGPRX4 (0.40) KMT2AMRGPRX4SCN9ALIPELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446375-B1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE SA (FR) 2008-05-14 EP disclosed
US-6949551-B2 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2005-09-27 US disclosed
EP-1446375-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS Bayer CropScience S.A. (FR) 2004-08-18 EP disclosed
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides MERIAL, INC. 2004-02-12 US disclosed
WO-2003042147-A1 DIHALOGENPROPENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AS PEST CONTROL AGENTS BAYER CROPSCIENCE S.A. (FR) 2003-05-22 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 (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-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides DDT, CBR1, CBR3 KMT2A 2907/4885L3MBTL1 867/4885MAPK1 2696/4885

“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.