SCHEMBL7126894

SCHEMBL7126894

Nc1nccc2ccc(OCCN3C(=O)c4ccccc4C3c3cccc(S(N)(=O)=O)c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.51
TTK P33981 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
F2 P00734 1/20 0.34
POLB P06746 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MAPK8 P45983 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7121927 0.88 F10 (0.46) F10TTKMAPTF2MAPK8
SCHEMBL7119306 0.85 RAB9A (0.41) F10TP53MAPTPOLBCA1
SCHEMBL7128478 0.82 F10 (0.54) F10TTKF2CA1CA2
SCHEMBL7122557 0.80 F10 (0.55) F10TTKTP53F2MAPK8
SCHEMBL7121882 0.73 RAB9A (0.38) TTKMAPTMAPK8
SCHEMBL7119405 0.71 F10 (0.48) F10F2
SCHEMBL7119005 0.70 F10 (0.49) F10F2
SCHEMBL7126891 0.68 F10 (1.00) F10F2
SCHEMBL7129114 0.67 MGLL (0.37) TTKMAPTMAPK8
SCHEMBL11001879 0.65 CA1 (0.50) CA1CA2CA9CA12CA7

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-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI F10 7/4885TTK 3731/4885TP53 4647/4885

“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.