SCHEMBL684755

SCHEMBL684755

O=C(N/N=C(/c1cc(Cl)cc(Cl)c1O)C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
ACLY P53396 1/20 0.45
POLB P06746 1/20 0.44
STK39 Q9UEW8 7/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GSTA1 P08263 1/20 0.43
RAB9A P51151 2/20 0.41
PARG Q86W56 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL684551 0.81 KDM1A (0.70) KDM1AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL684757 0.79 KDM1A (0.54) KDM1APOLBSTK39AKR1C4AKR1C3
SCHEMBL685113 0.78 KDM1A (0.53) KDM1AACLYPOLBSTK39AKR1C4
SCHEMBL684933 0.78 GSTA1 (0.66) KDM1APOLBMEN1ALDH1A1KMT2A
SCHEMBL684094 0.77 KDM1A (0.49) KDM1AACLYPOLBSTK39AKR1C4
SCHEMBL18989297 0.77 RAB9A (0.54) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18989296 0.77 RAB9A (0.54) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL685046 0.75 KDM1A (0.52) KDM1ASTK39MEN1ALDH1A1KMT2A
SCHEMBL13285465 0.73 KDM1A (0.50) KDM1AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1638630 0.72 KCNMA1 (0.52) KDM1APOLBMEN1ALDH1A1KMT2A

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 484/4885ACLY 2304/4885POLB 4572/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885ACLY 1737/4885POLB 4241/4885

“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.