SCHEMBL3552468

SCHEMBL3552468

N[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccncc3=O)cc2F)C[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.41
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL3548942 0.89 F10 (0.41) F10KCNH2
SCHEMBL3552464 0.89 F10 (0.41) F10KCNH2
SCHEMBL3548944 0.88 F10 (0.41) F10POLBKCNH2
SCHEMBL3552711 0.85 F10 (0.54) F10
SCHEMBL3550970 0.85 F10 (0.54) F10
SCHEMBL3542094 0.83 F10 (0.40) F10POLBHTT
SCHEMBL13436053 0.79 F10 (0.64) F10
SCHEMBL13436078 0.77 F10 (0.52) F10
SCHEMBL13674854 0.76 F10 (0.45) F10KCNH2
SCHEMBL13674873 0.76 F10 (0.41) F10KCNH2

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-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 US claimed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 F10 3/4885POLB 3141/4885KCNH2 962/4885

“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.