SCHEMBL14786306

SCHEMBL14786306

N#Cc1cc(C2=NSC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1-n1cncn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR3 Q99500 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL14786307 0.93 GRM7 (0.35) GRM7ALDH1A1MAPTHPGD
SCHEMBL14786310 0.93 GRM7 (0.35) GRM7ALDH1A1MAPTHPGD
SCHEMBL326219 0.82 CNR2 (0.33) ALDH1A1S1PR3CNR2P2RX3P2RX2
SCHEMBL12611337 0.81 GRM7 (0.32) GRM7ALDH1A1S1PR3CNR2
SCHEMBL536516 0.81 GRM7 (0.32) GRM7ALDH1A1S1PR3CNR2
SCHEMBL12497104 0.81 GRM7 (0.32) GRM7ALDH1A1S1PR3CNR2
SCHEMBL14785414 0.79 CYP11B2 (0.40) BACE1
SCHEMBL14790845 0.79 GRM7 (0.35) GRM7ALDH1A1MAPTHPGDCNR2
SCHEMBL17105467 0.78 GRM7 (0.33) GRM7P2RX3P2RX2
SCHEMBL16939926 0.77 S1PR3 (0.33) GRM7S1PR3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
EP-2755969-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2014-07-23 EP disclosed
WO-2013037626-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-03-21 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-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, C1S, HRH2 GRM7 4301/4885ALDH1A1 1473/4885S1PR3 366/4885

“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.