SCHEMBL684727

SCHEMBL684727

COc1ccc(/C(C)=N/NC(=O)c2ccccc2)c(O)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
RAB9A P51151 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
NPC1 O15118 7/20 0.53
KDM1A O60341 2/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
TP53 P04637 2/20 0.50
CYP2C9 P11712 1/20 0.50
BRCA1 P38398 1/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 2/20 0.48
NFKB1 P19838 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL685151 0.89 GAA (0.55) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL685150 0.89 MAPT (0.49) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL685155 0.88 SMN1; SMN2 (0.52) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL685370 0.88 KDM1A (0.49) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL684871 0.87 RAB9A (0.51) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL684887 0.86 SMN1; SMN2 (0.56) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL685094 0.86 KDM1A (0.51) MAPTRAB9ASMN1; SMN2NPC1KDM1A
SCHEMBL684884 0.86 MTOR (0.47) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL684593 0.86 NPC1 (0.60) MAPTRAB9ASMN1; SMN2NPC1KDM1A
SCHEMBL685358 0.85 ATM (0.48) MAPTTDP1RAB9ASMN1; SMN2NPC1

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-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
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 MAPT 1491/4885TDP1 3561/4885RAB9A 3846/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MAPT 921/4885TDP1 2868/4885RAB9A 3616/4885

“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.