SCHEMBL6792873

SCHEMBL6792873

COc1c(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(/C(N)=N/C(=O)OCc3ccccc3)cc2)cc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.47
F3 P13726 10/20 0.42
F2 P00734 9/20 0.42
PRSS1 P07477 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL6792879 1.00 F7 (0.47) F7F3F2PRSS1MEN1
SCHEMBL8363673 0.81 F7 (0.65) F7F3F2PRSS1
SCHEMBL8360779 0.80 F7 (0.65) F7F3F2PRSS1
SCHEMBL8363431 0.80 F7 (0.72) F7F3F2PRSS1
SCHEMBL8363182 0.80 F7 (0.66) F7F3F2PRSS1
SCHEMBL8360104 0.79 F7 (0.66) F7F3F2PRSS1
SCHEMBL8363354 0.79 F7 (0.55) F7F3F2PRSS1
SCHEMBL8360829 0.78 F7 (0.62) F7F3F2PRSS1
SCHEMBL8363474 0.78 F7 (0.63) F7F3F2PRSS1
SCHEMBL8360332 0.78 F7 (0.61) F7F3F2PRSS1

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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885F3 16/4885F2 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.