SCHEMBL2344409

SCHEMBL2344409

Cn1nc(-c2ccc(F)cc2F)cc1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
AR P10275 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
ASIC1 P78348 1/20 0.36
CNR1 P21554 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL2342660 0.89 PSEN1 (0.43) PDE7AMEN1KMT2AATMPDE1A
SCHEMBL8422328 0.75 PTGS2 (0.65) CYP2C9
SCHEMBL23149742 0.75 AR (0.43) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL15814002 0.74 F2RL3 (0.42) MEN1KMT2AF2RL3GABRG2GABRB3
SCHEMBL23149770 0.74 AR (0.42) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL7707702 0.73 KMO (0.42) CYP2C9HSD11B1
SCHEMBL8125675 0.73 PTGS2 (0.65)
SCHEMBL8424030 0.72 ALOX5AP (0.40) CYP3A4
SCHEMBL8424032 0.71 PTGS2 (0.42)
SCHEMBL6913488 0.71 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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 15 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
EP-2162448-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-03-17 EP disclosed
WO-2009007098-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-15 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 PDE7A 3636/4885MEN1 968/4885KMT2A 2947/4885
US-20110301034-A1 ISOTHIAZOLE AND PYRAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS ING2, IGFBP1, IP6K1 PDE7A 4392/4885MEN1 4418/4885KMT2A 2213/4885

“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.