SCHEMBL6697977

SCHEMBL6697977

O=C(O)[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1Cc1ccc(C=NN2CCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.55
F10 P00742 19/20 0.49
KLK1 P06870 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 0.94 KCNH2 (0.53) KCNH2F10KLK1
SCHEMBL6694593 0.89 KCNH2 (0.61) KCNH2F10
SCHEMBL6698024 0.87 KCNH2 (0.61) KCNH2F10KLK1
SCHEMBL6697976 0.83 F10 (0.71) KCNH2F10
SCHEMBL6697346 0.83 F10 (0.67) KCNH2F10
SCHEMBL6697345 0.83 F10 (0.67) KCNH2F10
SCHEMBL6694023 0.82 KCNH2 (0.56) KCNH2F10KLK1
SCHEMBL6694012 0.82 KCNH2 (0.56) KCNH2F10KLK1
SCHEMBL6698444 0.82 F10 (0.62) F10
SCHEMBL6703461 0.82 F10 (0.71) 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 3 patents. 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
EP-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 KCNH2 2157/4885F10 12/4885KLK1 983/4885

“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.