SCHEMBL2340641

SCHEMBL2340641

Cn1nc(-c2ccc(F)cc2F)c(C=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
SLC34A1 Q06495 4/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34

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
SCHEMBL2339109 0.90 GRM5 (0.39) GRM5SLC34A1PGRNR3C2PTGS1
SCHEMBL2559888 0.83 SLC34A1 (0.40) GRM5SLC34A1PTGS1PTGS2
SCHEMBL15332993 0.78 MAPK14 (0.38) GRM5SLC34A1PGRNR3C2
SCHEMBL2555113 0.76 CYP1A2 (0.37) SLC34A1SMN1; SMN2
SCHEMBL2563022 0.75 LMNA (0.41) PTGS1PTGS2CNR1
SCHEMBL15330906 0.73 HSD11B1 (0.42) SLC34A1CNR1
SCHEMBL15330159 0.72 PTGS1 (0.35) SLC34A1PTGS1PTGS2
SCHEMBL15331398 0.71 HSD11B1 (0.40) SLC34A1SMN1; SMN2CNR1
SCHEMBL17290413 0.71 HSD11B1 (0.40) SLC34A1CNR1
SCHEMBL15330554 0.71 NMT1 (0.39) SLC34A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377953-B2 Isothiazole and pyrazole derivatives as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-02-19 US disclosed
US-8377953-B2 Isothiazole and pyrazole derivatives as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-02-19 US disclosed
US-8377953-B2 Isothiazole and pyrazole derivatives as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-02-19 US disclosed
US-20110301034-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
US-20110301034-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
US-20110301034-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US disclosed
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US disclosed
US-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-09-15 US disclosed
EP-2358699-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP disclosed
WO-2010069877-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2010069877-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed
WO-2009007098-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-15 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-20110224241-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES NOX3, CBR3, NOS3 GRM5 2983/4885SLC34A1 270/4885PGR 2835/4885
US-20110301034-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS ING2, IGFBP1, IP6K1 GRM5 2369/4885SLC34A1 1027/4885PGR 2028/4885

“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.