Sugi Predict

Sugi Predict / Compounds / SCHEMBL434347

SCHEMBL434347

SCHEMBL434347

O=C(C#Cc1ccc(F)cc1F)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ AGTR1 P30556 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ APP P05067 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ F7 P08709 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ SARM1 Q6SZW1 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ SIRT4 Q9Y6E7 1/20 0.41

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
SCHEMBL433531 0.74 CES2 (0.44) ALDH1A1CYP1A2L3MBTL1IDO1
SCHEMBL2197628 0.73 ALDH1A1 (0.48) KMT2AAGTR1RAB9AGAAALDH1A1
SCHEMBL13347759 0.73 KMT2A (0.50) KMT2AATMAGTR1OPRK1RAB9A
SCHEMBL7454307 0.72 CYP1A1 (0.48) KMT2ARAB9AGAAALDH1A1CYP1A1
SCHEMBL3160611 0.71 PTGDR2 (0.47) RAB9AALDH1A1
SCHEMBL24847414 0.70 PTGDR2 (0.46) ATMALDH1A1
SCHEMBL14062228 0.69 GAA (0.76) RAB9AGAACYP1A2HDAC1HDAC3
SCHEMBL3282631 0.69 DPP4 (0.49) KMT2AATMAGTR1OPRK1RAB9A
SCHEMBL29393380 0.69 GAA (0.76) RAB9AGAACYP1A2HDAC1HDAC3
SCHEMBL10218101 0.69 ALDH1A1 (0.51) KMT2ARAB9AGAAALDH1A1APP

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296381-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-11-07 — — US disclosed
US-20130296381-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-11-07 — — US disclosed
US-20130296381-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-11-07 — — US disclosed
US-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-09-26 — — US disclosed
US-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-09-26 — — US disclosed
US-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-09-26 — — US disclosed
US-20130210836-A1 MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 — — US disclosed
US-20130210836-A1 MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 — — US disclosed
US-20130210836-A1 MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-08-15 — — US disclosed
US-8476446-B2 Isoxazole derivatives for use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-07-02 — — US disclosed
US-20110301205-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 — — US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
EP-2369933-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-10-05 — — EP disclosed
EP-2365751-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES Syngenta Participations AG (CH) 2011-09-21 — — EP disclosed
WO-2010069882-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO disclosed
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO disclosed
WO-2010069882-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — WO disclosed
WO-2010069881-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 — — 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 (5 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-20110301205-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES CYP4X1, CYP51A1, CYP4Z1 KMT2A 3069/4885ATM 2082/4885AGTR1 3079/4885
US-20130296381-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES CYP4X1, CYP51A1, CYP4Z1 KMT2A 3058/4885ATM 2054/4885AGTR1 3015/4885
US-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES NOX1, NOX5, NOS1 KMT2A 4568/4885ATM 1402/4885AGTR1 1297/4885
US-20130210836-A1 MICROBICIDES NOX1, MPO, NOS1 KMT2A 3470/4885ATM 3884/4885AGTR1 1530/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT KMT2A 2797/4885ATM 2678/4885AGTR1 2642/4885

“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.