SCHEMBL686319

SCHEMBL686319

O=C(N/N=C/c1c(O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 3/20 0.56
PTBP1 P26599 2/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.55
HSP90AA1 P07900 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
ALOX5 P09917 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL684981 0.87 MAPT (0.52) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL684996 0.84 MAPT (0.60) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL9921031 0.83 ALOX5 (0.71) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL685583 0.81 KMT2A (0.73) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL686258 0.79 LMNA (0.73) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL20299177 0.77 MGAM (0.60) LMNAKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL20299179 0.77 MGAM (0.60) LMNAKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL684935 0.76 MAPT (0.53) LMNAKMT2AKDM4ESMN1; SMN2HTT
SCHEMBL14337168 0.75 CYP1A2 (0.43) KMT2AKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL9921134 0.75 ALOX5 (0.60) LMNAKMT2AKDM4ESMN1; SMN2HTT

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 LMNA 4808/4885KMT2A 1362/4885KDM4E 1473/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 LMNA 4567/4885KMT2A 1224/4885KDM4E 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.