SCHEMBL685684

SCHEMBL685684

O=C(N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 3/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
PTBP1 P26599 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 8/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
HPGD P15428 2/20 0.57
ALOX5 P09917 3/20 0.56
PTGS2 P35354 3/20 0.56
MEN1 O00255 3/20 0.56
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL9921033 0.89 SIRT1 (0.62) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL9921031 0.89 ALOX5 (0.71) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL9921039 0.88 MAPT (0.65) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL9921041 0.88 KDM1A (0.60) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL686245 0.88 ALOX5 (0.58) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL684760 0.88 MAPT (0.62) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL684722 0.88 MAPT (0.56) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL683950 0.87 RAB9A (0.63) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL686244 0.84 DUSP3 (0.62) KMT2AKDM4ESMN1; SMN2POLBHTT
SCHEMBL685734 0.84 KMT2A (0.69) KMT2AKDM4ESMN1; SMN2POLBHTT

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 1362/4885KDM4E 1473/4885SMN1; SMN2 4107/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KMT2A 1224/4885KDM4E 1286/4885SMN1; SMN2 3775/4885

“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.