SCHEMBL683963

SCHEMBL683963

O=C(N/N=C/c1ccc(Cl)c(Cl)c1O)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 6/20 0.65
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL684638 0.90 RAB9A (0.64) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL684636 0.88 MAPT (0.70) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL684203 0.88 RAB9A (0.56) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL684746 0.86 RAB9A (0.71) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL684230 0.84 RAB9A (0.78) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL684641 0.84 MAPT (0.58) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL28429011 0.82 MAPT (0.77) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL684208 0.81 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL685010 0.81 KDM1A (0.67) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL684848 0.80 NPC1 (0.75) NPC1RAB9AMAPTSMN1; SMN2MEN1

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-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
US-20120009274-A1 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
US-20120009274-A1 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 3846/4885MAPT 1491/4885
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885RAB9A 3616/4885MAPT 921/4885

“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.