SCHEMBL685583

SCHEMBL685583

O=C(N/N=C/c1ccc(C(F)(F)F)cc1O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.73
LMNA P02545 4/20 0.73
KDM4E B2RXH2 3/20 0.73
HTT P42858 3/20 0.73
PTBP1 P26599 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
POLB P06746 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
SIRT1 Q96EB6 2/20 0.62
MAPT P10636 4/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PKM P14618 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 3/20 0.56
KDM1A O60341 2/20 0.56
HSP90AA1 P07900 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 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
SCHEMBL686258 0.90 LMNA (0.73) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL6568354 0.85 KMT2A (0.78) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL6568357 0.85 KMT2A (0.78) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL684556 0.85 KMT2A (1.00) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL6571710 0.85 KMT2A (1.00) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL6571712 0.85 KMT2A (1.00) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL28513871 0.84 KMT2A (0.72) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL12746244 0.84 KMT2A (0.77) KMT2ALMNAKDM4EHTTPTBP1
SCHEMBL8343578 0.83 SIRT1 (0.85) KMT2AKDM4EPOLBSIRT1NPC1
SCHEMBL8343583 0.83 SIRT1 (0.85) KMT2AKDM4EPOLBSIRT1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 1362/4885LMNA 4808/4885KDM4E 1473/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885LMNA 4567/4885KDM4E 1286/4885

“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.