SCHEMBL684557

SCHEMBL684557

O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
TDP1 Q9NUW8 4/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 9/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
KDM1A O60341 1/20 0.57
DUSP3 P51452 2/20 0.56
PTPN5 P54829 2/20 0.56
PTPN11 Q06124 2/20 0.56
SIRT1 Q96EB6 2/20 0.54
RAB9A P51151 1/20 0.53
POLB P06746 4/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
EYA2 O00167 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL683801 0.88 MAPT (0.66) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL683992 0.88 DUSP3 (0.65) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL684847 0.86 KDM1A (0.66) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL684808 0.85 MEN1 (0.65) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL21292801 0.84 MEN1 (0.86) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL21292799 0.84 MEN1 (0.86) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL684777 0.82 SIRT1 (0.63) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL684558 0.82 SIRT1 (0.71) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL684852 0.81 MAPT (0.68) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL685237 0.79 DUSP3 (0.67) MEN1KMT2ATDP1NPC1MAPT

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-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 (1 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 MEN1 536/4885KMT2A 1362/4885TDP1 3561/4885

“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.