SCHEMBL527771

SCHEMBL527771

O=C1c2ccccc2C(=O)N1OCC(F)CON1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ALDH1A1 P00352 6/20 0.55
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 1/20 0.50
ATM Q13315 2/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.45
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8819837 0.90 GAA (0.56) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10439170 0.90 GAA (0.49) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL3576904 0.82 GAA (0.56) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL19961833 0.82 GAA (0.56) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL529416 0.82 POLB (0.70) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL25094432 0.82 GAA (0.56) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL21106337 0.82 MAOB (0.43) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL13545621 0.81 GAA (0.69) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2296725 0.79 POLB (0.58) GAAALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2296722 0.79 POLB (0.58) GAAALDH1A1POLBSMN1; SMN2KMT2A

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-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 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-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT GAA 1279/4885ALDH1A1 1961/4885POLB 1911/4885

“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.