SCHEMBL684704

SCHEMBL684704

C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
MAPK1 P28482 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 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
SCHEMBL685246 0.89 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL684904 0.89 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL684906 0.88 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL685352 0.86 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL685066 0.86 P2RX1 (0.55) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL685075 0.85 MEN1 (0.57) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL683861 0.83 POLB (0.59) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL684846 0.82 MEN1 (0.58) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL683863 0.82 KDM1A (0.52) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL16281512 0.82 RAB9A (0.60) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906829-B2 Synergistic algicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2014-12-09 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 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 (3 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 1362/4885SMN1; SMN2 4107/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885KMT2A 1224/4885SMN1; SMN2 3775/4885
US-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER ALG1, SOD1, DHPS MEN1 3435/4885KMT2A 2866/4885SMN1; SMN2 4860/4885

“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.