SCHEMBL9921138

SCHEMBL9921138

O=C(N/N=C/c1cc(C(F)(F)F)ccc1O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.77
DUSP3 P51452 1/20 0.71
PTPN5 P54829 1/20 0.71
PTPN11 Q06124 1/20 0.71
KMT2A Q03164 7/20 0.63
LMNA P02545 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
KDM4E B2RXH2 4/20 0.63
HTT P42858 4/20 0.63
POLB P06746 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PTBP1 P26599 1/20 0.63
MAPT P10636 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 6/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.57
NCOA1 Q15788 1/20 0.55
AGTR1 P30556 1/20 0.54

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
SCHEMBL9921129 0.89 PHGDH (0.87) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL21292847 0.88 DUSP3 (0.82) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL21292850 0.88 DUSP3 (0.82) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL22245277 0.87 PHGDH (1.00) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL21309254 0.87 PHGDH (1.00) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL686244 0.86 DUSP3 (0.62) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL686334 0.85 DUSP3 (0.61) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL686258 0.84 LMNA (0.73) PHGDHKMT2ALMNATDP1KDM4E
SCHEMBL683720 0.84 DUSP3 (0.76) PHGDHDUSP3PTPN5PTPN11KMT2A
SCHEMBL684813 0.84 DUSP3 (0.76) PHGDHDUSP3PTPN5PTPN11KMT2A

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 PHGDH 1735/4885DUSP3 858/4885PTPN5 1027/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PHGDH 1393/4885DUSP3 1332/4885PTPN5 1156/4885

“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.