SCHEMBL6806818

SCHEMBL6806818

FC(F)(F)c1cc(Cl)c(-c2c(Cl)nc3ncnn3c2Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 6/20 0.45
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.34
PDE2A O00408 1/20 0.33

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
SCHEMBL8487840 0.85 KDM4E (0.40) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL4813093 0.81 TSHR (0.42) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL4814224 0.80 POLB (0.47) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL8124409 0.79 KDM4E (0.51) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL4813137 0.78 TSHR (0.41) MBOAT4ALDH1A1KDM4EHPGDGAA
SCHEMBL3276173 0.75 ALDH1A1 (0.39) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL4816582 0.74 MBOAT4 (0.37) MBOAT4ALDH1A1KDM4EHPGDPDE2A
SCHEMBL23925483 0.73 ALDH1A1 (0.38) MBOAT4ALDH1A1KDM4EHPGDPOLB
SCHEMBL23944468 0.73 KDM4E (0.43) ALDH1A1KDM4EHPGDPOLBGAA
SCHEMBL7960580 0.73 ALDH1A1 (0.38) MBOAT4ALDH1A1KDM4EHPGDPOLB

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-20040097522-A1 Triazolopyrimidines BAYER CROPSCIENCE AG (DE) 2004-05-20 US disclosed
EP-1349859-A2 TRIAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2003-10-08 EP disclosed
WO-2002050077-A2 TRIAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2002-06-27 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-20040097522-A1 Triazolopyrimidines Q6ZSR9, CYP4X1, DDT MBOAT4 4399/4885ALDH1A1 373/4885KDM4E 2312/4885

“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.