SCHEMBL6081874

SCHEMBL6081874

C[C@H](Nc1nccc(C(=O)NCCNC(C)(C)C)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.47
HTR7 P34969 3/20 0.47
PLK1 P53350 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
KDM4E B2RXH2 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42
IDH1 O75874 2/20 0.42
ADRA1D P25100 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL6082367 0.88 MAPK14 (0.50) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6081327 0.88 MAPK14 (0.52) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6081738 0.87 MAPK14 (0.49) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6081490 0.85 MAPK14 (0.50) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6081688 0.85 MAPK14 (0.44) MAPK14HTR7PLK1HDAC3HDAC1
SCHEMBL30123472 0.78 MAPK14 (0.56) MAPK14HTR7PLK1HDAC3HDAC1
SCHEMBL20187393 0.78 MAPK14 (0.56) MAPK14HTR7PLK1HDAC3HDAC1
SCHEMBL6081494 0.76 MAPK14 (0.44) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6082153 0.76 MAPK14 (0.54) MAPK14HTR7HDAC3HDAC1HDAC2
SCHEMBL6081184 0.76 MAPK14 (0.45) MAPK14HTR7HDAC3HDAC1HDAC2

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-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 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-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 MAPK14 28/4885HTR7 1715/4885PLK1 333/4885

“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.