Sugi Predict

Sugi Predict / Compounds / SCHEMBL684743

SCHEMBL684743

SCHEMBL684743

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 2/20 0.69
▸ PTPN5 P54829 2/20 0.69
▸ PTPN11 Q06124 2/20 0.69
▸ MAPT P10636 6/20 0.58
▸ GFER P55789 1/20 0.58
▸ LMNA P02545 5/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PHGDH O43175 1/20 0.57
▸ HTT P42858 4/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ SENP1 Q9P0U3 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
SCHEMBL684618 0.89 PHGDH (0.62) DUSP3PTPN5PTPN11MAPTLMNA
SCHEMBL686244 0.89 DUSP3 (0.62) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL685289 0.88 DUSP3 (0.61) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL685018 0.88 DUSP3 (0.61) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL21145697 0.85 DUSP3 (0.84) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL21145695 0.85 DUSP3 (0.84) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL684798 0.84 DUSP3 (0.73) DUSP3PTPN5PTPN11MAPTGFER
SCHEMBL683950 0.83 RAB9A (0.63) DUSP3PTPN5PTPN11MAPTLMNA
SCHEMBL684995 0.83 NPC1 (0.70) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL685269 0.82 RAB9A (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2

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 4 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-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
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.