SCHEMBL3784293

SCHEMBL3784293

CC(C)(C)OC(=O)NC1Cc2c(F)ccc3ccc(=O)n(c23)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 6/20 0.38
EPHX2 P34913 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSK P43235 2/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.35
GAA P10253 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
SCN9A Q15858 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL3430145 0.82 ACACB (0.40) CKS1BSKP1SKP2DRD2
SCHEMBL1722713 0.81 GAA (0.38) KDM4DEPHX2NFKB1NFKB2RELA
SCHEMBL13070855 0.76 SLC2A1 (0.54) CKS1BSKP1SKP2DRD2
SCHEMBL13070654 0.76 SLC2A1 (0.54) CKS1BSKP1SKP2DRD2
SCHEMBL1723328 0.74 SLC2A1 (0.41) GAACKS1BSKP1SKP2DRD2
SCHEMBL1723447 0.73 GAA (0.39) EPHX2NFKB1NFKB2RELACTSK
SCHEMBL1723261 0.73 GAA (0.39) EPHX2NFKB1NFKB2RELAKMT2A
SCHEMBL1723562 0.73 GAA (0.39) EPHX2NFKB1NFKB2RELAKMT2A
SCHEMBL2818795 0.73 HTR1A (0.35) DRD2
SCHEMBL1723456 0.72 SLC2A1 (0.40) GAADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 KDM4D 1780/4885EPHX2 2851/4885NFKB1 1084/4885

“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.