SCHEMBL6797704

SCHEMBL6797704

COC(=O)c1cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.41
GAA P10253 1/20 0.39
F3 P13726 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 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
SCHEMBL6645944 0.92 F7 (0.47) F7F3JAK2JAK1JAK3
SCHEMBL8363690 0.90 MEN1 (0.42) F7GAAF3HTTMEN1
SCHEMBL8360304 0.88 F7 (0.51) F7GAAF3JAK2JAK1
SCHEMBL8360311 0.87 F7 (0.40) F7GAAF3MEN1KMT2A
SCHEMBL8363659 0.85 F7 (0.47) F7GAAF3HTTSMN1; SMN2
SCHEMBL8360874 0.81 F7 (0.42) F7GAAF3
SCHEMBL6792932 0.79 F7 (0.38) F7F3
SCHEMBL6792938 0.79 F7 (0.38) F7F3
SCHEMBL6791726 0.79 F7 (0.48) F7F3SMN1; SMN2ALDH1A1
SCHEMBL6791732 0.79 F7 (0.48) F7F3SMN1; SMN2ALDH1A1

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 20/4885GAA 1836/4885F3 16/4885

“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.