SCHEMBL420933

SCHEMBL420933

O=C(c1cc(Cl)cc(Cl)c1O)n1nnc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.72
THRB P10828 1/20 0.72
KCNMA1 Q12791 2/20 0.60
F12 P00748 3/20 0.59
MGAM O43451 10/20 0.58
AMY1A P0DUB6 10/20 0.58
GAA P10253 10/20 0.58
SI P14410 10/20 0.58
MGAM2 Q2M2H8 10/20 0.58
KMT2A Q03164 4/20 0.54
HPGD P15428 2/20 0.54
F2 P00734 1/20 0.54
SLC9A1 P19634 1/20 0.54
MIF P14174 1/20 0.52
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 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
SCHEMBL29767671 0.84 GLA (1.00) GLATHRBKCNMA1F12MGAM
SCHEMBL1906738 0.84 GLA (1.00) GLATHRBKCNMA1F12MGAM
SCHEMBL19380617 0.80 GLA (0.74) GLATHRBKCNMA1F12MGAM
SCHEMBL25224373 0.79 GLA (0.72) GLATHRBKCNMA1F12MGAM
SCHEMBL3900498 0.78 KCNMA1 (0.81) GLATHRBKCNMA1F12MGAM
SCHEMBL25201340 0.76 GLA (0.76) GLATHRBKCNMA1F12MGAM
SCHEMBL19410281 0.76 KCNMA1 (1.00) GLATHRBKCNMA1F12MGAM
SCHEMBL29996039 0.76 GLA (0.64) GLATHRBKCNMA1F12MGAM
SCHEMBL25226324 0.75 GLA (0.62) GLATHRBKCNMA1F12MGAM
SCHEMBL29479884 0.75 F12 (1.00) GLATHRBF12MGAMAMY1A

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 5 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-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
EP-2376435-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER Dow AgroSciences LLC (US) 2011-10-19 EP disclosed
WO-2010083307-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2010-07-22 WO 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 GLA 3397/4885THRB 4234/4885KCNMA1 1207/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 GLA 2187/4885THRB 4164/4885KCNMA1 1429/4885

“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.