SCHEMBL684884

SCHEMBL684884

COc1ccc(/C(C)=N/NC(=O)c2ccc(C(F)(F)F)cc2)c(O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.47
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 2/20 0.44
ESRRG P62508 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL685150 0.87 MAPT (0.49) MAPTTDP1SMN1; SMN2CYP1A2TP53
SCHEMBL685151 0.87 GAA (0.55) MAPTTDP1SMN1; SMN2CYP1A2GAA
SCHEMBL685155 0.86 SMN1; SMN2 (0.52) MAPTTDP1SMN1; SMN2CYP1A2TP53
SCHEMBL685370 0.86 KDM1A (0.49) MAPTTDP1SMN1; SMN2CYP1A2TP53
SCHEMBL684677 0.86 KDM1A (0.50) MTORMAPTSMN1; SMN2CYP1A2TP53
SCHEMBL684727 0.86 MAPT (0.54) MAPTTDP1SMN1; SMN2CYP1A2TP53
SCHEMBL684871 0.79 RAB9A (0.51) MTORMAPTTDP1SMN1; SMN2CYP1A2
SCHEMBL684021 0.78 MAPT (0.56) MTORMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL685094 0.78 KDM1A (0.51) MTORMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL684887 0.78 SMN1; SMN2 (0.56) MAPTTDP1SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 MTOR 2134/4885MAPT 1491/4885TDP1 3561/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885MAPT 921/4885TDP1 2868/4885

“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.