SCHEMBL684714

SCHEMBL684714

C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(Br)cc(Br)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM1A O60341 2/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
NPC1 O15118 7/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
SIRT1 Q96EB6 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
PRSS12 P56730 1/20 0.48
AGTR1 P30556 1/20 0.48
OPRK1 P41145 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
SCHEMBL685357 0.91 MEN1 (0.58) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL684863 0.89 SIRT1 (0.52) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL684860 0.87 RAB9A (0.67) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL684712 0.87 HSPD1 (0.55) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL684717 0.85 GAA (0.54) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL685141 0.85 MTOR (0.61) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL683907 0.84 KDM1A (0.69) MEN1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL14195175 0.83 MAPT (0.61) MEN1CYP2C19KMT2ACA1CA2
SCHEMBL685079 0.81 KMT2A (0.53) MEN1CYP3A4KMT2AKDM1ANPC1
SCHEMBL684917 0.81 KDM1A (0.61) MEN1CYP1A2CYP3A4CYP2C19KMT2A

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 MEN1 536/4885CYP1A2 11/4885CYP3A4 48/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MEN1 508/4885CYP1A2 12/4885CYP3A4 71/4885

“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.