SCHEMBL9930491

SCHEMBL9930491

CN(C[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3C[C@@H]12)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
F10 P00742 6/20 0.35
MAP4K1 Q92918 1/20 0.33
AOC3 Q16853 2/20 0.32
EED O75530 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
CYP11B2 P19099 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
SCHEMBL13430019 0.86 KCNH2 (0.40) KCNH2F10MAP4K1EEDSUZ12
SCHEMBL13423977 0.86 KCNH2 (0.50) KCNH2F10MAP4K1EEDSUZ12
SCHEMBL14069247 0.85 KCNH2 (0.55) KCNH2F10
SCHEMBL9929681 0.85 KCNH2 (0.55) KCNH2F10
SCHEMBL9964926 0.84 KCNH2 (0.37) KCNH2F10MAP4K1
SCHEMBL9929851 0.84 KCNH2 (0.36) KCNH2AOC3
SCHEMBL9930160 0.83 KCNJ1 (0.36) KCNH2
SCHEMBL14069838 0.83 KCNH2 (0.46) KCNH2F10
SCHEMBL9968663 0.83 KCNH2 (0.46) KCNH2F10
SCHEMBL13456736 0.82 KCNH2 (0.41) KCNH2F10MAP4K1EEDSUZ12

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 1295/4885F10 2649/4885MAP4K1 3231/4885

“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.