SCHEMBL6788869

SCHEMBL6788869

CC(C)Nc1ncc(-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)n(CC(=O)NCc2ccc3c(N)noc3c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.53
F3 P13726 6/20 0.52
F2 P00734 3/20 0.43
MASP2 O00187 1/20 0.41
KLKB1 P03952 1/20 0.40
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL6792319 0.94 F7 (0.52) F7F3F2KLKB1MAP4K1
SCHEMBL8360141 0.79 F7 (0.59) F7F3F2MASP2KLKB1
SCHEMBL6794167 0.79 F7 (0.52) F7F3
SCHEMBL6790523 0.76 F7 (0.73) F7F3F2
SCHEMBL6792408 0.76 F7 (0.54) F7F3F2
SCHEMBL6791842 0.75 F7 (0.49) F7F3F2MASP2KLKB1
SCHEMBL6791329 0.74 F7 (0.65) F7F3F2
SCHEMBL6791335 0.74 F7 (0.65) F7F3F2
SCHEMBL6790727 0.74 F7 (0.67) F7F3F2
SCHEMBL6792587 0.74 F7 (0.71) F7F3F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG F7 54/4885F3 20/4885F2 2/4885

“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.