SCHEMBL462485

SCHEMBL462485

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.44
CYP3A4 P08684 6/20 0.43
CYP3A5 P20815 6/20 0.43
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RORC P51449 2/20 0.33

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
SCHEMBL29360928 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL2444831 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL2444825 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL29367523 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL3114118 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL2471057 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL29369392 0.77 ATM (0.39) CYP19A1CYP3A4CYP3A5
SCHEMBL432619 0.75 CCR9 (0.41) CYP3A4CYP3A5POLBMAPT
SCHEMBL15262991 0.74 CYP19A1 (0.45) CYP19A1CYP3A4CYP3A5POLB
SCHEMBL27041081 0.74 ACP1 (0.39) CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 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-20130252972-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES NOX1, NOX5, NOS1 CYP19A1 1573/4885CYP3A4 50/4885CYP3A5 28/4885

“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.