SCHEMBL9968492

SCHEMBL9968492

COC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5=NOC(CO)C5)c(F)c4)cc3C[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 11/20 0.38
KCNH2 Q12809 3/20 0.38
HDAC6 Q9UBN7 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
CYP2C19 P33261 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
F10 P00742 1/20 0.33
CALML3 P27482 2/20 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
SCHEMBL9930532 0.92 KCNH2 (0.45) MIFKCNH2HDAC6MAOBMAOA
SCHEMBL9968507 0.87 KCNH2 (0.43) MIFKCNH2HDAC6MAOBMAOA
SCHEMBL9968481 0.86 MAOB (0.38) MIFKCNH2MAOBMAOACYP2C19
SCHEMBL14069841 0.86 MIF (0.37) MIFKCNH2HDAC6CALML3
SCHEMBL9930282 0.84 HDAC6 (0.35) MIFKCNH2HDAC6CALML3
SCHEMBL9930700 0.83 KCNH2 (0.48) MIFKCNH2MAOBMAOACYP2C19
SCHEMBL9964897 0.81 MAOA (0.43) MAOBMAOA
SCHEMBL9929861 0.79 KCNH2 (0.51) MIFKCNH2MAOBMAOACYP2C19
SCHEMBL9968567 0.78 KCNH2 (0.41) MIFKCNH2IRAK4F10
SCHEMBL14069339 0.78 MAOB (0.45) MIFKCNH2MAOBMAOACYP2C19

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 MIF 852/4885KCNH2 1295/4885HDAC6 93/4885

“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.