SCHEMBL684813

SCHEMBL684813

Cc1ccc(O)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.76
PTPN5 P54829 1/20 0.76
PTPN11 Q06124 1/20 0.76
MAPT P10636 9/20 0.63
POLB P06746 2/20 0.63
GAA P10253 1/20 0.63
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
OPRK1 P41145 1/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 3/20 0.62
NPC1 O15118 1/20 0.62
KDM4E B2RXH2 2/20 0.61
GFER P55789 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL21292701 0.91 DUSP3 (0.69) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL21292702 0.91 DUSP3 (0.69) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL21292847 0.91 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL21292850 0.91 DUSP3 (0.82) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL685299 0.87 PHGDH (0.69) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL683720 0.87 DUSP3 (0.76) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL12746264 0.86 DUSP3 (1.00) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL685021 0.86 KDM1A (0.61) MAPTPOLBKMT2AHTTTDP1
SCHEMBL21292753 0.85 PHGDH (0.76) DUSP3PTPN5PTPN11MAPTPOLB
SCHEMBL21292751 0.85 PHGDH (0.76) DUSP3PTPN5PTPN11MAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 DUSP3 858/4885PTPN5 1027/4885PTPN11 1940/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 DUSP3 1332/4885PTPN5 1156/4885PTPN11 2177/4885

“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.