SCHEMBL684589

SCHEMBL684589

COc1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.62
MAPT P10636 12/20 0.56
KMT2A Q03164 10/20 0.56
MEN1 O00255 9/20 0.56
KDM4E B2RXH2 6/20 0.56
LMNA P02545 5/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 2/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 3/20 0.56
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HPGD P15428 1/20 0.52
ASF1A Q9Y294 1/20 0.51

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
SCHEMBL684791 0.90 PIK3CG (0.65) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL685190 0.90 KDM4E (0.51) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL683765 0.86 KDM4E (0.68) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL26974435 0.82 PIK3CG (0.69) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL684507 0.81 PIK3CG (0.62) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL20587692 0.81 PIK3CG (0.64) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL20587691 0.81 PIK3CG (0.64) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL22179641 0.81 PIK3CG (0.64) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL1638643 0.79 PIK3CG (0.72) PIK3CGMAPTKMT2AMEN1KDM4E
SCHEMBL4447278 0.79 PIK3CG (0.72) PIK3CGMAPTKMT2AMEN1KDM4E

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 2876/4885MAPT 1491/4885KMT2A 1362/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 PIK3CG 2911/4885MAPT 921/4885KMT2A 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.