SCHEMBL9964939

SCHEMBL9964939

CC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5cc(CO)on5)nc4)cc3C[C@@H]12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
NOTUM Q6P988 2/20 0.33
CYP11B1 P15538 1/20 0.30
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
SCHEMBL13429837 1.00 KCNH2 (0.40) KCNH2NOTUMCYP11B1CYP11B2
SCHEMBL9964884 0.88 KCNH2 (0.51) KCNH2
SCHEMBL13429843 0.88 KCNH2 (0.51) KCNH2
SCHEMBL14069853 0.88 KCNH2 (0.51) KCNH2
SCHEMBL9964771 0.83 KCNH2 (0.51) KCNH2
SCHEMBL14069251 0.82 KCNH2 (0.38) KCNH2
SCHEMBL13429785 0.81 KCNH2 (0.37) KCNH2
SCHEMBL9964786 0.81 MAOA (0.35) KCNH2
SCHEMBL13429903 0.81 KCNH2 (0.38) KCNH2CYP11B1CYP11B2
SCHEMBL13430056 0.80 KCNH2 (0.38) KCNH2CYP11B1CYP11B2

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 1295/4885NOTUM 2955/4885CYP11B1 458/4885

“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.