SCHEMBL6694593

SCHEMBL6694593

CCOC(=O)C1CCN(N=Cc2ccc(CN3C(=O)CN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C(=O)O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
F10 P00742 8/20 0.42
HTT P42858 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6699065 0.93 KCNH2 (0.53) KCNH2F10
SCHEMBL6697977 0.89 KCNH2 (0.55) KCNH2F10
SCHEMBL6696800 0.84 F10 (0.57) KCNH2F10HTTTSHRNPSR1
SCHEMBL6698024 0.83 KCNH2 (0.61) KCNH2F10
SCHEMBL6694012 0.78 KCNH2 (0.56) KCNH2F10
SCHEMBL6694023 0.78 KCNH2 (0.56) KCNH2F10
SCHEMBL6696811 0.78 KCNH2 (0.55) KCNH2F10
SCHEMBL6696815 0.78 KCNH2 (0.55) KCNH2F10
SCHEMBL6694570 0.76 F10 (0.62) F10
SCHEMBL6697387 0.76 KCNH2 (0.67) KCNH2F10

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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-15 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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 KCNH2 2157/4885MEN1 3060/4885KMT2A 2284/4885

“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.