SCHEMBL684029

SCHEMBL684029

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.58
CYP3A4 P08684 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
CASP6 P55212 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
BRD4 O60885 1/20 0.49
CYP2C9 P11712 1/20 0.49
BRD2 P25440 1/20 0.49
CYP2C19 P33261 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
SCHEMBL684697 0.89 MAPT (0.55) KDM1ACYP3A4SMN1; SMN2CYP1A2MEN1
SCHEMBL683780 0.89 KDM1A (0.60) KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL683714 0.88 CYP3A4 (0.64) KDM1ACYP3A4SMN1; SMN2CYP1A2MEN1
SCHEMBL423694 0.88 CYP3A4 (0.64) KDM1ACYP3A4SMN1; SMN2CYP1A2MEN1
SCHEMBL684038 0.87 CYP3A4 (0.59) KDM1ACYP3A4SMN1; SMN2CYP1A2MEN1
SCHEMBL685255 0.86 KDM1A (0.55) KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL684771 0.86 KDM1A (0.70) KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL683863 0.83 KDM1A (0.52) KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL685108 0.83 CYP3A4 (0.57) KDM1ACYP3A4SMN1; SMN2CYP1A2MEN1
SCHEMBL684839 0.83 KDM1A (0.83) KDM1ACYP3A4SMN1; SMN2CYP1A2CYP2D6

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 484/4885CYP3A4 48/4885SMN1; SMN2 4107/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885CYP3A4 71/4885SMN1; SMN2 3775/4885

“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.