SCHEMBL685111

SCHEMBL685111

O=C(N/N=C/c1cccc(F)c1O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
NPC1 O15118 8/20 0.67
CD38 P28907 1/20 0.60
KDM1A O60341 3/20 0.60
HTT P42858 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GCGR P47871 1/20 0.54

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
SCHEMBL13475712 0.88 NPC1 (0.83) RAB9ANPC1KDM1AHTTMEN1
SCHEMBL14983946 0.85 NOX4 (0.69) RAB9ANPC1KDM1AHTTKDM4E
SCHEMBL6749927 0.85 NOX4 (0.69) RAB9ANPC1KDM1AHTTKDM4E
SCHEMBL6749929 0.85 NOX4 (0.69) RAB9ANPC1KDM1AHTTKDM4E
SCHEMBL684891 0.84 RAB9A (0.60) RAB9ANPC1HTTKDM4EMEN1
SCHEMBL12767331 0.83 MEN1 (0.72) RAB9ANPC1CD38KDM1AKDM4E
SCHEMBL1638612 0.83 MEN1 (0.72) RAB9ANPC1CD38KDM1AKDM4E
SCHEMBL1638609 0.83 MEN1 (0.72) RAB9ANPC1CD38KDM1AKDM4E
SCHEMBL685232 0.83 RAB9A (0.78) RAB9ANPC1KDM1AHTTKDM4E
SCHEMBL684189 0.83 NPC1 (0.64) RAB9ANPC1CD38KDM1AHTT

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-8455394-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-06-04 US disclosed
US-8455394-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-06-04 US disclosed
US-20120021065-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021065-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 3846/4885NPC1 1690/4885CD38 4580/4885
US-20120021065-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885NPC1 1052/4885CD38 4507/4885

“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.