SCHEMBL684846

SCHEMBL684846

C/C(=N\NC(=O)c1ccccc1O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 5/20 0.55
RECQL P46063 1/20 0.55
KCNMA1 Q12791 2/20 0.54
GAA P10253 6/20 0.54
MAPK1 P28482 1/20 0.54
KDM1A O60341 1/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL684671 0.89 CRHBP (0.55) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL684810 0.88 MEN1 (0.66) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL685075 0.88 MEN1 (0.57) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL684674 0.88 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL684904 0.88 ALDH1A1 (0.60) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL7800493 0.85 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL685246 0.83 ALDH1A1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL684906 0.82 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL684704 0.82 MEN1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL683861 0.81 POLB (0.59) MEN1KMT2AL3MBTL1ALDH1A1RECQL

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 536/4885KMT2A 1362/4885L3MBTL1 2746/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885KMT2A 1224/4885L3MBTL1 2155/4885

“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.