SCHEMBL684731

SCHEMBL684731

COc1ccc(C(=O)N/N=C(\C)c2c(O)cc(OC)cc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
GAA P10253 3/20 0.56
MAPT P10636 5/20 0.55
CYP1A2 P05177 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 7/20 0.51
NPC1 O15118 7/20 0.51
ALDH1A1 P00352 3/20 0.50
PSMD14 O00487 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 2/20 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
SCHEMBL684898 0.93 SMN1; SMN2 (0.51) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL684902 0.92 MAPT (0.53) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL684083 0.92 MAPT (0.52) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL685077 0.91 SMN1; SMN2 (0.52) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL684908 0.90 MTOR (0.49) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL685163 0.85 MAPT (0.61) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL684901 0.84 RAB9A (0.50) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL685376 0.83 SMN1; SMN2 (0.57) CYP3A4GAAMAPTSMN1; SMN2USP2
SCHEMBL684753 0.81 ALDH1A1 (0.51) CYP3A4CYP2D6CYP2C19GAAMAPT
SCHEMBL685326 0.81 MAPT (0.61) CYP3A4GAAMAPTCYP1A2SMN1; SMN2

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 CYP3A4 48/4885CYP2D6 136/4885CYP2C19 138/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP3A4 71/4885CYP2D6 143/4885CYP2C19 120/4885

“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.