SCHEMBL684852

SCHEMBL684852

Cc1cc(C)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
HTT P42858 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 4/20 0.68
SIRT1 Q96EB6 1/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
L3MBTL1 Q9Y468 7/20 0.55
KDM4E B2RXH2 6/20 0.55
TDP1 Q9NUW8 4/20 0.55
PSMD14 O00487 1/20 0.55
MMP2 P08253 1/20 0.55
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MITF O75030 1/20 0.54
GAA P10253 2/20 0.52
POLB P06746 2/20 0.52
ALPL P05186 1/20 0.52
RECQL P46063 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL684558 0.90 SIRT1 (0.71) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL683801 0.85 MAPT (0.66) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL685186 0.83 MEN1 (0.67) MAPTHTTLMNASIRT1MEN1
SCHEMBL684632 0.81 SIRT1 (0.60) MAPTHTTLMNASIRT1MEN1
SCHEMBL684557 0.81 MEN1 (0.64) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL684777 0.76 SIRT1 (0.63) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL26974376 0.76 SIRT1 (0.83) MAPTHTTLMNASIRT1MEN1
SCHEMBL684609 0.74 MAPT (0.58) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL683992 0.74 DUSP3 (0.65) MAPTHTTALDH1A1LMNASIRT1
SCHEMBL26974380 0.74 SIRT1 (0.67) MAPTHTTLMNASIRT1MEN1

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 1 patent. 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

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 MAPT 1491/4885HTT 386/4885ALDH1A1 127/4885

“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.