SCHEMBL432619

SCHEMBL432619

O=C(c1cccnc1)c1c(-c2ccc(Cl)cc2F)noc1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.41
TGM2 P21980 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP11B2 P19099 1/20 0.39
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38
GABRA5 P31644 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALOX15 P16050 1/20 0.37
KCNMA1 Q12791 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL2196692 0.79 ADORA3 (0.51) POLBMAPTRAB9ANPC1RXFP1
SCHEMBL2444831 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL29369392 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL2471057 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL29360928 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL3114118 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL2444825 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL29367523 0.77 ATM (0.39) L3MBTL1CYP11B2CYP3A4CYP3A5MAPK14
SCHEMBL27041081 0.76 ACP1 (0.39) CYP11B2CYP3A4GABRA5MAPTMAPK14
SCHEMBL462485 0.75 CYP19A1 (0.44) CYP3A4CYP3A5POLBMAPT

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 33 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-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-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 CCR9 3331/4885TGM2 2263/4885L3MBTL1 3551/4885
US-20130296381-A1 ISOXAZOLE DERIVATIVES FOR USE AS FUNGICIDES CYP4X1, CYP51A1, CYP4Z1 CCR9 3378/4885TGM2 2271/4885L3MBTL1 3496/4885
US-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES NOX1, NOX5, NOS1 CCR9 986/4885TGM2 3318/4885L3MBTL1 4012/4885
US-20130210836-A1 MICROBICIDES NOX1, MPO, NOS1 CCR9 314/4885TGM2 3391/4885L3MBTL1 3169/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT CCR9 4756/4885TGM2 2485/4885L3MBTL1 4082/4885

“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.