SCHEMBL9929851

SCHEMBL9929851

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
EGLN2 Q96KS0 2/20 0.33
TET2 Q6N021 1/20 0.33
OGFOD1 Q8N543 1/20 0.33
TET1 Q8NFU7 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
AOC3 Q16853 1/20 0.31
CHRM1 P11229 1/20 0.30
F11 P03951 1/20 0.30
KLK1 P06870 1/20 0.30

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
SCHEMBL9930160 0.90 KCNJ1 (0.36) KCNH2
SCHEMBL9930501 0.87 KCNH2 (0.36) KCNH2AOC3
SCHEMBL9930295 0.85 KCNH2 (0.34) KCNH2AOC3
SCHEMBL14069204 0.85 KCNH2 (0.38) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL9930200 0.85 KCNH2 (0.53) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL14069901 0.85 KCNH2 (0.53) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL9930491 0.84 KCNH2 (0.38) KCNH2AOC3
SCHEMBL9968645 0.83 KCNH2 (0.44) KCNH2EGLN2TET2OGFOD1TET1
SCHEMBL14069203 0.83 KCNH2 (0.37) KCNH2EGLN2CHRM1
SCHEMBL9964774 0.83 KCNH2 (0.37) KCNH2EGLN2CHRM1

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.