SCHEMBL6826263

SCHEMBL6826263

N#CC(C#N)(Cc1ccc(C(F)(F)F)cc1)CC1CC1(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
KDM1A O60341 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DAO P14920 1/20 0.32
IDO1 P14902 4/20 0.32
KIF11 P52732 1/20 0.32
RCOR1 Q9UKL0 1/20 0.31
MIF P14174 1/20 0.31
DPP4 P27487 2/20 0.31
FAP Q12884 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL6825863 0.83 LOXL2 (0.36) MAOBMAOAIDO1
SCHEMBL6822755 0.83 ALDH1A1 (0.37) ALDH1A1KDM1ARCOR1
SCHEMBL6825928 0.81 MAOB (0.40) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL6826198 0.77 MAOB (0.37) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL4657572 0.72 MAOB (0.36) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL4656397 0.72 TAAR1 (0.40) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL6826907 0.72 ESR1 (0.41) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL4657451 0.71 TAAR1 (0.39) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL4657483 0.71 TAAR1 (0.43) NAAAKDM4EALDH1A1MAOBESR1
SCHEMBL4657486 0.71 TAAR1 (0.36) NAAAKDM4EALDH1A1MAOBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040143007-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1392647-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-03-03 EP disclosed
WO-2002090321-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO 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 (1 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-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 NAAA 695/4885KDM4E 1332/4885ALDH1A1 1262/4885

“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.