SCHEMBL684501

SCHEMBL684501

O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(Br)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.63
KDM4E B2RXH2 8/20 0.60
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
NPC1 O15118 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
USP2 O75604 1/20 0.60
MCOLN3 Q8TDD5 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 7/20 0.59
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
ALOX12 P18054 1/20 0.59
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM1A O60341 1/20 0.53
RAB9A P51151 3/20 0.52
PSMD14 O00487 2/20 0.52
MMP2 P08253 2/20 0.52

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
SCHEMBL22179506 0.92 PIK3CG (0.61) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL22179495 0.89 PIK3CG (0.65) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL684496 0.89 PIK3CG (0.67) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL684873 0.85 PIK3CG (0.63) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL684570 0.85 MEN1 (0.73) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL685177 0.84 PIK3CG (0.67) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL684964 0.83 PIK3CG (0.63) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL21145681 0.83 KDM4E (0.72) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL685212 0.83 KMT2A (0.59) PIK3CGKDM4EKMT2AMEN1NPC1
SCHEMBL684779 0.83 KDM4E (0.72) PIK3CGKDM4EKMT2AMEN1NPC1

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-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 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 PIK3CG 2876/4885KDM4E 1473/4885KMT2A 1362/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PIK3CG 2911/4885KDM4E 1286/4885KMT2A 1224/4885

“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.