SCHEMBL683891

SCHEMBL683891

C/C(=N\NC(=O)c1ccccc1C)c1cc(Br)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
KMT2A Q03164 2/20 0.62
OPRK1 P41145 1/20 0.62
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GSTA1 P08263 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56

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
SCHEMBL685117 0.91 NPC1 (0.66) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL684057 0.88 NPC1 (0.63) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL683925 0.87 KDM1A (0.54) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL684693 0.86 KMT2A (0.61) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL683729 0.85 KDM1A (0.67) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL684051 0.85 KDM1A (0.73) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL684684 0.84 KDM1A (0.72) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL685078 0.84 RAB9A (0.50) MEN1NPC1RAB9AKMT2AOPRK1
SCHEMBL683849 0.82 RAB9A (0.62) MEN1NPC1RAB9AKMT2AGAA
SCHEMBL686583 0.81 KDM1A (0.52) MEN1NPC1RAB9AKMT2AGAA

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 MEN1 536/4885NPC1 1690/4885RAB9A 3846/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885NPC1 1052/4885RAB9A 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.