SCHEMBL684558

SCHEMBL684558

Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.71
MAPT P10636 10/20 0.67
HTT P42858 4/20 0.67
LMNA P02545 2/20 0.67
ALDH1A1 P00352 1/20 0.67
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
NPC1 O15118 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MITF O75030 1/20 0.66
KDM4E B2RXH2 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
PSMD14 O00487 1/20 0.54
MMP2 P08253 1/20 0.54
PHGDH O43175 1/20 0.53
PKM P14618 1/20 0.53
SAE1 Q9UBE0 1/20 0.53

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
SCHEMBL684852 0.90 MAPT (0.68) SIRT1MAPTHTTLMNAALDH1A1
SCHEMBL683801 0.89 MAPT (0.66) SIRT1MAPTHTTLMNAALDH1A1
SCHEMBL26974376 0.85 SIRT1 (0.83) SIRT1MAPTHTTLMNAMEN1
SCHEMBL21292753 0.83 PHGDH (0.76) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL21292751 0.83 PHGDH (0.76) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL684777 0.82 SIRT1 (0.63) SIRT1MAPTHTTLMNAALDH1A1
SCHEMBL684557 0.82 MEN1 (0.64) SIRT1MAPTHTTLMNAALDH1A1
SCHEMBL684979 0.81 SIRT1 (0.77) SIRT1MAPTHTTLMNAMEN1
SCHEMBL685299 0.78 PHGDH (0.69) MAPTHTTLMNAALDH1A1MEN1
SCHEMBL684609 0.78 MAPT (0.58) SIRT1MAPTHTTLMNAALDH1A1

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 SIRT1 2400/4885MAPT 1491/4885HTT 386/4885

“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.