SCHEMBL684654

SCHEMBL684654

C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.71
MAPT P10636 10/20 0.64
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GAA P10253 5/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
POLB P06746 2/20 0.64
CASP6 P55212 1/20 0.64
LMNA P02545 4/20 0.62
HTT P42858 4/20 0.62
KDM4E B2RXH2 3/20 0.62
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
CTDSP1 Q9GZU7 2/20 0.57
BLM P54132 1/20 0.57
RAB9A P51151 3/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 3/20 0.54
TDP1 Q9NUW8 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
SCHEMBL683724 0.86 MAPT (0.67) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL7198673 0.84 MAPT (0.71) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6505816 0.84 MAPT (0.71) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL23719208 0.84 KDM1A (1.00) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL14712657 0.84 KDM1A (1.00) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL19283326 0.84 KDM1A (1.00) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL684658 0.83 KDM1A (0.83) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL684476 0.82 KDM1A (0.81) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL685157 0.82 KDM1A (0.81) KDM1AMAPTMEN1KMT2AGAA
SCHEMBL28012829 0.82 KDM1A (0.81) KDM1AMAPTMEN1KMT2AGAA

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 KDM1A 484/4885MAPT 1491/4885MEN1 536/4885

“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.