SCHEMBL684712

SCHEMBL684712

C/C(=N\NC(=O)c1cccc(Cl)c1)c1cc(Br)cc(Br)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.55
HSPE1 P61604 1/20 0.55
KDM1A O60341 5/20 0.54
MTOR P42345 3/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP2D6 P10635 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL684066 0.87 MTOR (0.53) MTORCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL684714 0.87 MEN1 (0.54) HSPD1HSPE1KDM1AMTORCYP1A2
SCHEMBL684860 0.87 RAB9A (0.67) HSPD1HSPE1KDM1AMTORCYP1A2
SCHEMBL684994 0.85 KDM1A (0.68) KDM1AMTORCYP1A2CYP3A4CYP2C19
SCHEMBL685357 0.83 MEN1 (0.58) KDM1AMTORCYP1A2CYP3A4CYP2C19
SCHEMBL683780 0.82 KDM1A (0.60) KDM1AMTORCYP1A2CYP3A4CYP2C19
SCHEMBL685079 0.81 KMT2A (0.53) HSPD1HSPE1KDM1ACYP3A4SMN1; SMN2
SCHEMBL684029 0.81 KDM1A (0.58) KDM1ACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL684863 0.81 SIRT1 (0.52) KDM1AMTORCYP1A2CYP3A4CYP2C19
SCHEMBL684771 0.79 KDM1A (0.70) KDM1AMTORCYP1A2CYP3A4SMN1; SMN2

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 HSPD1 340/4885HSPE1 427/4885KDM1A 484/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 HSPD1 243/4885HSPE1 252/4885KDM1A 291/4885

“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.