SCHEMBL2215898

SCHEMBL2215898

Cc1noc(C)c1-c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MTOR P42345 1/20 0.37
GAA P10253 2/20 0.36
ERN1 O75460 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL2214639 0.76 ERN1 (0.41) BRD4LMNAL3MBTL1ERN1ALDH1A1
SCHEMBL2212128 0.76 MTOR (0.45) L3MBTL1MTORGAAALDH1A1KDM4E
SCHEMBL2215311 0.75 GAK (0.39) L3MBTL1MTORGAAALDH1A1KDM4E
SCHEMBL2216714 0.75 GAA (0.38) LMNAL3MBTL1MTORGAAALDH1A1
SCHEMBL2216096 0.75 TSHR (0.35) LMNAL3MBTL1GAAALDH1A1KDM4E
SCHEMBL3803232 0.75 TSHR (0.35) LMNAL3MBTL1GAAALDH1A1KDM4E
SCHEMBL2214863 0.74 GAK (0.36) L3MBTL1MTORGAAALDH1A1KDM4E
SCHEMBL2216705 0.74 PIK3R1 (0.44) LMNAL3MBTL1MTORGAAALDH1A1
SCHEMBL2215269 0.74 MTOR (0.47) L3MBTL1MTORGAAALDH1A1KMT2A
SCHEMBL2213337 0.74 PIK3R1 (0.40) LMNAL3MBTL1GAAALDH1A1KDM4E

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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 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-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL TBCA, TUBA1A, BROX BRD4 828/4885LMNA 1747/4885L3MBTL1 4446/4885

“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.