SCHEMBL6330591

SCHEMBL6330591

Nc1cc(Cl)c(N2CC(C(=NO)c3ccc(F)cc3F)CCC2=O)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
HSD11B1 P28845 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
SCHEMBL6330589 1.00 P2RX7 (0.34) P2RX7MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6327546 0.92 P2RX7 (0.39) P2RX7MEN1KMT2AL3MBTL1MAPK14
SCHEMBL6327540 0.92 P2RX7 (0.39) P2RX7MEN1KMT2AL3MBTL1MAPK14
SCHEMBL6333390 0.78 MEN1 (0.44) P2RX7MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6333379 0.77 P2RX7 (0.38) P2RX7MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6329598 0.72 HTR2A (0.39) P2RX7
SCHEMBL14542094 0.68 L3MBTL1 (0.40) MEN1ALDH1A1KMT2AL3MBTL1HSD11B1
SCHEMBL28026688 0.66 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1
SCHEMBL6329615 0.66 P2RX7 (0.37) P2RX7
SCHEMBL1833474 0.66 L3MBTL1 (0.42) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US claimed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP claimed
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 US disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 EP 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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient MAPKAP1, MAPK1, MAPK8 P2RX7 2638/4885MEN1 205/4885ALDH1A1 2969/4885

“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.