SCHEMBL684684

SCHEMBL684684

C/C(=N\NC(=O)c1ccccc1)c1cc(Br)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.72
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C19 P33261 2/20 0.66
NFKB1 P19838 1/20 0.66
CASP3 P42574 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
OPRK1 P41145 1/20 0.61
GAA P10253 2/20 0.59
CTDSP1 Q9GZU7 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL685062 0.92 RAB9A (0.61) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684690 0.88 KDM1A (0.56) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL685117 0.88 NPC1 (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL684686 0.87 CYP1A2 (0.60) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL683907 0.87 KDM1A (0.69) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684994 0.86 KDM1A (0.68) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6569104 0.86 KDM1A (0.76) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6569109 0.86 KDM1A (0.76) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL684057 0.85 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL685005 0.85 KDM1A (0.74) KDM1ARAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 484/4885RAB9A 3846/4885NPC1 1690/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885RAB9A 3616/4885NPC1 1052/4885

“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.