SCHEMBL685077

SCHEMBL685077

COc1cc(O)c(/C(C)=N/NC(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
CYP3A4 P08684 4/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.50
KDM1A O60341 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL684731 0.91 CYP3A4 (0.60) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684898 0.89 SMN1; SMN2 (0.51) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL685163 0.89 MAPT (0.61) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684083 0.88 MAPT (0.52) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684902 0.88 MAPT (0.53) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684901 0.88 RAB9A (0.50) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL685376 0.87 SMN1; SMN2 (0.57) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684908 0.86 MTOR (0.49) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684753 0.85 ALDH1A1 (0.51) SMN1; SMN2CYP3A4USP2MAPK1NPC1
SCHEMBL684675 0.80 L3MBTL1 (0.63) SMN1; SMN2CYP3A4MAPK1NPC1RAB9A

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 5 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-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-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 SMN1; SMN2 4107/4885CYP3A4 48/4885USP2 1129/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SMN1; SMN2 3775/4885CYP3A4 71/4885USP2 933/4885

“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.