SCHEMBL9968567

SCHEMBL9968567

COC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5=NOC(COP(=O)(O)O)C5)nc4)cc3C[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.31
MIF P14174 1/20 0.31
F10 P00742 7/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL9968582 0.94 KCNH2 (0.48) KCNH2F10LMNAMAPT
SCHEMBL9968507 0.91 KCNH2 (0.43) KCNH2IRAK4MIFF10
SCHEMBL9968506 0.85 KCNH2 (0.39) KCNH2MIFF10
SCHEMBL9968583 0.83 KCNH2 (0.34) KCNH2
SCHEMBL9929861 0.83 KCNH2 (0.51) KCNH2MIFF10LMNAMAPT
SCHEMBL9964770 0.83 KCNH2 (0.51) KCNH2MIFF10LMNAMAPT
SCHEMBL9968578 0.82 KCNH2 (0.40) KCNH2F10
SCHEMBL9968481 0.81 MAOB (0.38) KCNH2IRAK4MIFF10
SCHEMBL9968491 0.80 KCNH2 (0.42) KCNH2F10
SCHEMBL9968662 0.79 KCNH2 (0.43) 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 1295/4885IRAK4 2433/4885MIF 852/4885

“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.