SCHEMBL9968645

SCHEMBL9968645

COC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5ccnn5)nc4)cc3C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
EGLN2 Q96KS0 2/20 0.34
TET2 Q6N021 1/20 0.34
OGFOD1 Q8N543 1/20 0.34
TET1 Q8NFU7 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
F10 P00742 13/20 0.33
PIK3C3 Q8NEB9 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
SCHEMBL14069901 0.92 KCNH2 (0.53) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL9930200 0.92 KCNH2 (0.53) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL9968665 0.90 KCNH2 (0.43) KCNH2F10
SCHEMBL14069903 0.87 KCNH2 (0.42) KCNH2F10
SCHEMBL9968638 0.87 KCNH2 (0.42) KCNH2F10
SCHEMBL9968650 0.85 KCNH2 (0.41) KCNH2F10
SCHEMBL9968663 0.84 KCNH2 (0.46) KCNH2F10
SCHEMBL14069838 0.84 KCNH2 (0.46) KCNH2F10
SCHEMBL14069204 0.84 KCNH2 (0.38) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL9968570 0.84 KCNH2 (0.40) KCNH2F10

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 KCNH2 1295/4885EGLN2 258/4885TET2 4405/4885

“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.