SCHEMBL684908

SCHEMBL684908

COc1cc(O)c(/C(C)=N/NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.49
CYP3A4 P08684 2/20 0.48
GAA P10253 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
ESRRG P62508 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PSMD14 O00487 1/20 0.43
ADCYAP1R1 P41586 1/20 0.43
HPGD P15428 1/20 0.43

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 0.90 CYP3A4 (0.60) CYP3A4GAACYP2D6CYP2C19SMN1; SMN2
SCHEMBL684898 0.87 SMN1; SMN2 (0.51) CYP3A4GAACYP2D6CYP2C19SMN1; SMN2
SCHEMBL684902 0.86 MAPT (0.53) MTORCYP3A4GAACYP2D6CYP2C19
SCHEMBL684083 0.86 MAPT (0.52) CYP3A4GAACYP2D6CYP2C19SMN1; SMN2
SCHEMBL685077 0.86 SMN1; SMN2 (0.52) CYP3A4GAACYP2D6CYP2C19SMN1; SMN2
SCHEMBL684021 0.82 MAPT (0.56) MTORCYP3A4GAASMN1; SMN2MAPK1
SCHEMBL685163 0.80 MAPT (0.61) MTORCYP3A4GAACYP2D6CYP2C19
SCHEMBL684901 0.79 RAB9A (0.50) CYP3A4GAACYP2D6CYP2C19SMN1; SMN2
SCHEMBL685376 0.78 SMN1; SMN2 (0.57) CYP3A4GAASMN1; SMN2USP2MAPK1
SCHEMBL14459823 0.78 LMNA (0.55) MAPTADCYAP1R1

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 MTOR 2134/4885CYP3A4 48/4885GAA 670/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885CYP3A4 71/4885GAA 386/4885

“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.