SCHEMBL684871

SCHEMBL684871

COc1ccc(/C(C)=N/NC(=O)c2cccc(C)c2)c(O)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 10/20 0.50
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
MTOR P42345 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
MCL1 Q07820 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
SCHEMBL684707 0.89 RAB9A (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685094 0.88 KDM1A (0.51) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL684727 0.87 MAPT (0.54) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685150 0.86 MAPT (0.49) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL23719204 0.82 SMN1; SMN2 (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685151 0.81 GAA (0.55) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685358 0.81 ATM (0.48) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685155 0.81 SMN1; SMN2 (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL685370 0.81 KDM1A (0.49) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL684681 0.80 L3MBTL1 (0.64) RAB9ANPC1MAPTALDH1A1SMN1; 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 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 RAB9A 3846/4885NPC1 1690/4885MAPT 1491/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885NPC1 1052/4885MAPT 921/4885

“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.