SCHEMBL5031401

SCHEMBL5031401

O=NCC1OB(O)c2c1ccc(F)c2OCCCOCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.34
KCNA5 P22460 2/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
NAAA Q02083 1/20 0.32
KDM1A O60341 3/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL460492 0.85 KCNA3 (0.33) KCNA3KCNA5HTR1ASLC6A2SLC6A4
SCHEMBL21570016 0.73 GRIN2D (0.39)
SCHEMBL461896 0.73 L3MBTL1 (0.34) KCNA3KCNA5HTR1ANAAA
SCHEMBL12559198 0.72
SCHEMBL461354 0.72 HTR1A (0.39) HTR1ANAAA
SCHEMBL19017137 0.71
SCHEMBL3446369 0.69 NAAA (0.33) HTR1ANAAA
SCHEMBL461975 0.69 NAAA (0.33) HTR1ANAAA
SCHEMBL3445785 0.69 NAAA (0.33) HTR1ANAAA
SCHEMBL462119 0.69

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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115813-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BTD, BROX KCNA3 3094/4885KCNA5 3376/4885HTR1A 4700/4885

“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.