SCHEMBL683798

SCHEMBL683798

O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.78
MAPT P10636 7/20 0.78
TDP1 Q9NUW8 5/20 0.78
L3MBTL1 Q9Y468 4/20 0.78
ALDH1A1 P00352 2/20 0.78
PHGDH O43175 2/20 0.75
DUSP3 P51452 1/20 0.72
PTPN5 P54829 1/20 0.72
PTPN11 Q06124 1/20 0.72
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
CCR6 P51684 1/20 0.71
NPC1 O15118 1/20 0.67
LMNA P02545 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HTT P42858 3/20 0.66
ADORA2A P29274 1/20 0.65
PSMD14 O00487 1/20 0.63
THRB P10828 1/20 0.63
NCOA1 Q15788 1/20 0.63

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
SCHEMBL21292769 0.92 PHGDH (0.82) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292771 0.92 PHGDH (0.82) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292850 0.91 DUSP3 (0.82) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292847 0.91 DUSP3 (0.82) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL16035055 0.90 PHGDH (0.79) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292819 0.90 PHGDH (0.79) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292812 0.89 DUSP3 (0.71) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292811 0.89 DUSP3 (0.71) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292675 0.89 PHGDH (0.81) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL21292677 0.89 PHGDH (0.81) KDM4EMAPTTDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2018-03-15 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 KDM4E 1473/4885MAPT 1491/4885TDP1 3561/4885
US-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS CLPP, HPD, PDXK KDM4E 1929/4885MAPT 3986/4885TDP1 2328/4885

“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.