SCHEMBL683765

SCHEMBL683765

COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2O)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.68
MAPT P10636 8/20 0.68
KMT2A Q03164 8/20 0.68
RAB9A P51151 4/20 0.68
HTT P42858 3/20 0.68
NPC1 O15118 3/20 0.68
MITF O75030 3/20 0.68
KLF5 Q13887 2/20 0.68
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.62
PIK3CG P48736 1/20 0.62
ALOX12 P18054 1/20 0.62
GPR174 Q9BXC1 1/20 0.60
POLB P06746 1/20 0.60
PGR P06401 1/20 0.59
AR P10275 1/20 0.59
MEN1 O00255 4/20 0.56
ASF1A Q9Y294 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL684814 0.87 KDM4E (0.62) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL684589 0.86 PIK3CG (0.62) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL684521 0.82 KDM4E (0.74) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL12388083 0.81 KDM4E (0.83) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL685190 0.80 KDM4E (0.51) KDM4EMAPTKMT2AHTTNPC1
SCHEMBL684539 0.80 KMT2A (0.71) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL4447019 0.80 KDM4E (0.79) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL1638707 0.80 KDM4E (0.79) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL1638705 0.80 KDM4E (0.79) KDM4EMAPTKMT2ARAB9AHTT
SCHEMBL684531 0.79 KDM4E (0.67) KDM4EMAPTKMT2ARAB9AHTT

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 KDM4E 1473/4885MAPT 1491/4885KMT2A 1362/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM4E 1286/4885MAPT 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.