SCHEMBL684891

SCHEMBL684891

O=C(N/N=C/c1c(F)ccc(F)c1O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
HSP90AA1 P07900 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
TNNI3 P19429 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 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
SCHEMBL685111 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL684575 0.84 NPC1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL25419611 0.79 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL25419617 0.79 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13475712 0.77 NPC1 (0.83) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10201984 0.77 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL684972 0.77 MEN1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL684974 0.77 CYP1A2 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20299179 0.76 MGAM (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20299177 0.76 MGAM (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 1690/4885SMN1; SMN2 4107/4885
US-20120021065-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885NPC1 1052/4885SMN1; 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.