SCHEMBL9930282

SCHEMBL9930282

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
MIF P14174 12/20 0.35
CALML3 P27482 3/20 0.33
KCNH2 Q12809 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
SCHEMBL9929978 0.87 KCNH2 (0.39) MIFKCNH2
SCHEMBL14069841 0.86 MIF (0.37) HDAC6MIFCALML3KCNH2
SCHEMBL9929910 0.86 MAOB (0.34) HDAC6MIFCALML3KCNH2
SCHEMBL9930532 0.85 KCNH2 (0.45) HDAC6MIFCALML3KCNH2
SCHEMBL9968492 0.84 MIF (0.38) HDAC6MIFCALML3KCNH2
SCHEMBL9964897 0.81 MAOA (0.43)
SCHEMBL9930570 0.78 KCNH2 (0.33) KCNH2
SCHEMBL9930700 0.76 KCNH2 (0.48) MIFCALML3KCNH2
SCHEMBL9930208 0.74 KCNH2 (0.36) KCNH2
SCHEMBL9930253 0.73 KCNH2 (0.40) HDAC6MIFCALML3KCNH2

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 HDAC6 93/4885MIF 852/4885CALML3 4013/4885

“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.