SCHEMBL684642

SCHEMBL684642

O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.73
KDM4E B2RXH2 8/20 0.73
MAPT P10636 5/20 0.73
RAB9A P51151 4/20 0.73
MEN1 O00255 4/20 0.73
MITF O75030 3/20 0.73
ASF1A Q9Y294 2/20 0.73
NPC1 O15118 2/20 0.73
TDP1 Q9NUW8 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
PHGDH O43175 1/20 0.68
SIRT1 Q96EB6 1/20 0.67
HTT P42858 7/20 0.66
LMNA P02545 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
POLB P06746 3/20 0.66
PSMD14 O00487 1/20 0.66
MMP2 P08253 1/20 0.66
BLM P54132 1/20 0.66
KLF5 Q13887 2/20 0.63

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
SCHEMBL19283336 0.87 KMT2A (0.76) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL19283338 0.87 KMT2A (0.76) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL22179604 0.86 KMT2A (0.64) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL20587728 0.86 KMT2A (0.64) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL20587748 0.86 KMT2A (0.68) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL20587749 0.86 KMT2A (0.68) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL22179548 0.86 KMT2A (0.68) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL20587726 0.86 KMT2A (0.64) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL684540 0.85 KDM1A (0.77) KMT2AKDM4EMAPTRAB9AMEN1
SCHEMBL20587597 0.85 PIK3CG (0.60) KMT2AKDM4EMAPTRAB9AMEN1

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 4 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-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 KMT2A 1362/4885KDM4E 1473/4885MAPT 1491/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885KDM4E 1286/4885MAPT 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.