SCHEMBL6801431

SCHEMBL6801431

CN(C)C(=N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 1.00
KLK1 P06870 1/20 0.68
KCNH2 Q12809 1/20 0.56

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
SCHEMBL6803670 0.89 F10 (0.79) F10KLK1KCNH2
SCHEMBL6807283 0.87 F10 (0.77) F10KLK1KCNH2
SCHEMBL6807873 0.87 F10 (0.77) F10KLK1KCNH2
SCHEMBL6807886 0.86 F10 (0.75) F10KLK1
SCHEMBL8175554 0.85 F10 (0.74) F10KLK1
SCHEMBL6803352 0.84 F10 (0.72) F10KLK1KCNH2
SCHEMBL6804360 0.84 F10 (0.72) F10
SCHEMBL6801435 0.83 F10 (0.71) F10KLK1
SCHEMBL5090932 0.83 F10 (0.72) F10KLK1
SCHEMBL6807287 0.83 F10 (0.71) F10KLK1KCNH2

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-20040082786-A1 Piperazine based inhibitors of factor xa MILENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082786-A1 Piperazine based inhibitors of factor xa TFPI, F11, F12 F10 11/4885KLK1 603/4885KCNH2 2309/4885

“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.