SCHEMBL7209315

SCHEMBL7209315

[CH2]CNC(=O)c1cnc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.59
BCAT1 P54687 1/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 1/20 0.54
KDR P35968 2/20 0.51
CFTR P13569 1/20 0.51
PPARD Q03181 1/20 0.51
HPGDS O60760 3/20 0.50
PREP P48147 1/20 0.50
NAMPT P43490 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
DRD3 P35462 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL5309154 0.84 MGAM (0.62) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL6237473 0.83 MGAM (0.65) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL13113540 0.82 MGAM (0.56) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL29222038 0.82 HDAC3 (0.61) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL2639346 0.82 MGAM (0.56) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL24392693 0.82 HPGDS (0.70) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL2639342 0.82 PPARD (0.57) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL30858823 0.82 HDAC3 (0.61) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL3401005 0.81 HPGDS (0.56) MGAMBCAT1HDAC3HDAC1HDAC2
SCHEMBL2230677 0.81 MGAM (0.67) MGAMBCAT1HDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E MGAM 27/4885BCAT1 790/4885HDAC3 179/4885

“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.