SCHEMBL6801753

SCHEMBL6801753

N#CN=C1SCCN1Cc1cc(C(F)(F)F)ccc1C(=O)C1C(=O)CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.44
PDE4B Q07343 12/20 0.37
MEN1 O00255 1/20 0.37
CHRNA7 P36544 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE4D Q08499 4/20 0.35
USP30 Q70CQ3 2/20 0.31
KCNH2 Q12809 1/20 0.31
ENPP2 Q13822 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
SCHEMBL6801740 1.00 HPD (0.44) HPDPDE4BMEN1CHRNA7KMT2A
SCHEMBL6804582 0.85 MEN1 (0.42) PDE4BMEN1CHRNA7KMT2ATDP1
SCHEMBL6804586 0.85 MEN1 (0.42) PDE4BMEN1CHRNA7KMT2ATDP1
SCHEMBL6805796 0.81 PDE4B (0.41) PDE4BMEN1CHRNA7KMT2ATDP1
SCHEMBL6805799 0.81 PDE4B (0.41) PDE4BMEN1CHRNA7KMT2ATDP1
SCHEMBL6799388 0.77 MEN1 (0.43) PDE4BMEN1CHRNA7KMT2ATDP1
SCHEMBL28751529 0.71 HPD (0.50) HPDKMT2A
SCHEMBL9134337 0.66 HPD (0.64) HPD
SCHEMBL13744948 0.65 HPD (0.52) HPDKMT2A
SCHEMBL6137047 0.65 HPD (0.45) HPDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097376-A1 Substituted aryl ketones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-05-20 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 (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-20040097376-A1 Substituted aryl ketones and their use as herbicides DDT, CYP1A1, CYP1B1 HPD 131/4885PDE4B 3542/4885MEN1 3867/4885

“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.