SCHEMBL684669

SCHEMBL684669

O=C(N/N=C/c1c(C(F)(F)F)ccc(Cl)c1O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 2/20 0.56
PTPN5 P54829 2/20 0.56
PTPN11 Q06124 2/20 0.56
MAPT P10636 8/20 0.54
GFER P55789 1/20 0.54
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 3/20 0.53
POLB P06746 4/20 0.52
ALDH1A1 P00352 3/20 0.52
OPRK1 P41145 2/20 0.52
KDM4E B2RXH2 1/20 0.52
AGTR1 P30556 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SENP1 Q9P0U3 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL684756 0.91 DUSP3 (0.64) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL685073 0.88 PHGDH (0.54) MAPTLMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL684012 0.86 KDM1A (0.55) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL685025 0.85 CYP1A2 (0.67) DUSP3PTPN5PTPN11MAPTLMNA
SCHEMBL684815 0.84 CYP1A2 (0.51) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL684935 0.83 MAPT (0.53) MAPTLMNASMN1; SMN2HTTPOLB
SCHEMBL685289 0.82 DUSP3 (0.61) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL684743 0.82 DUSP3 (0.69) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL686334 0.80 DUSP3 (0.61) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL684970 0.80 DUSP3 (0.70) DUSP3PTPN5PTPN11MAPTGFER

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.