SCHEMBL685348

SCHEMBL685348

C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
CYP3A4 P08684 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
NFKB1 P19838 1/20 0.59
CASP3 P42574 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
KDM1A O60341 2/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 3/20 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
SCHEMBL684038 0.90 CYP3A4 (0.59) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL685108 0.88 CYP3A4 (0.57) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL683714 0.88 CYP3A4 (0.64) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL423694 0.88 CYP3A4 (0.64) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL16281512 0.86 RAB9A (0.60) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL684040 0.85 CYP3A4 (0.57) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL684831 0.85 GAA (0.55) RAB9ASMN1; SMN2NPC1CYP3A4KMT2A
SCHEMBL685319 0.84 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL684919 0.84 MEN1 (0.54) RAB9ASMN1; SMN2NPC1CYP3A4MEN1
SCHEMBL10053242 0.84 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1CYP3A4MEN1

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 RAB9A 3846/4885SMN1; SMN2 4107/4885NPC1 1690/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885SMN1; SMN2 3775/4885NPC1 1052/4885

“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.