SCHEMBL685246

SCHEMBL685246

C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 6/20 0.52
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
RECQL P46063 1/20 0.51
KDM1A O60341 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL684904 0.90 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL684906 0.89 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL684704 0.89 MEN1 (0.54) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL683861 0.88 POLB (0.59) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL685352 0.87 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL685066 0.87 P2RX1 (0.55) ALDH1A1MAPTSMN1; SMN2GAAL3MBTL1
SCHEMBL684671 0.84 CRHBP (0.55) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL684846 0.83 MEN1 (0.58) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL683863 0.83 KDM1A (0.52) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL685075 0.81 MEN1 (0.57) ALDH1A1MAPTSMN1; SMN2GAALMNA

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 ALDH1A1 127/4885MAPT 1491/4885SMN1; SMN2 4107/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALDH1A1 115/4885MAPT 921/4885SMN1; SMN2 3775/4885

“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.