SCHEMBL3395383

SCHEMBL3395383

NS(=O)(=O)c1cccc(-c2cnn(-c3cncc(F)c3)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
GRM4 Q14833 2/20 0.35
MKNK1 Q9BUB5 5/20 0.35
SLC6A9 P48067 2/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
STS P08842 1/20 0.34
DYRK1B Q9Y463 1/20 0.33
MELK Q14680 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
NTRK1 P04629 1/20 0.31
FLT3 P36888 1/20 0.31
KCNH2 Q12809 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
SCHEMBL3394370 0.84 MKNK1 (0.35) GRM4MKNK1GRM5MELK
SCHEMBL252173 0.82 CA1 (0.40) GRM4MKNK1GRM5PTGS2MELK
SCHEMBL12410577 0.82 ASIC3 (0.40) GRM4MKNK1CYP11B2GRM5DYRK1B
SCHEMBL15745931 0.80 CYP11B2 (0.39) NPC1GRM4MKNK1SLC6A9CYP11B2
SCHEMBL10183286 0.80 SLC6A9 (0.37) GRM4MKNK1SLC6A9CYP11B2GRM5
SCHEMBL10233513 0.80 GRM2 (0.44) ELOVL1
SCHEMBL10182240 0.79 GRM4 (0.36) NPC1GRM4MKNK1SLC6A9CYP11B2
SCHEMBL12410479 0.78 SMN1; SMN2 (0.40) NPC1GRM4MKNK1CYP11B2GRM5
SCHEMBL12410390 0.78 GRM5 (0.43) GRM4MKNK1CYP11B2GRM5DYRK1B
SCHEMBL18567909 0.77 IRAK4 (0.41) NPC1GRM4MKNK1SLC6A9ELOVL1

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-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
WO-2012000896-A2 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-01-05 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS NPC1 3750/4885GRM4 892/4885MKNK1 1426/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS NPC1 3750/4885GRM4 892/4885MKNK1 1426/4885

“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.