SCHEMBL685117

SCHEMBL685117

C/C(=N\NC(=O)c1ccccc1O)c1cc(Br)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
OPRK1 P41145 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
GSTA1 P08263 2/20 0.64
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.59

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
SCHEMBL684057 0.92 NPC1 (0.63) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL683891 0.91 MEN1 (0.62) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL684693 0.90 KMT2A (0.61) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL684684 0.88 KDM1A (0.72) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL684870 0.85 RAB9A (0.57) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL23701490 0.85 KDM1A (0.74) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL684855 0.85 KDM1A (0.74) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL685062 0.84 RAB9A (0.61) NPC1RAB9AMEN1KMT2AOPRK1
SCHEMBL685136 0.84 SMN1; SMN2 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL685116 0.83 KDM1A (0.78) NPC1RAB9AMEN1KMT2ASMN1; 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 NPC1 1690/4885RAB9A 3846/4885MEN1 536/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885RAB9A 3616/4885MEN1 508/4885

“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.