SCHEMBL2216714

SCHEMBL2216714

C[C@@H]1CN(c2ccc(-c3cccc(C=O)n3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAK O14976 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKDC P78527 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
PDE3B Q13370 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
SCHEMBL2216705 0.84 PIK3R1 (0.44) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2213596 0.81 GAK (0.37) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2212136 0.79 TDP1 (0.39) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2212128 0.79 MTOR (0.45) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2215615 0.79 TDP1 (0.42) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2213594 0.79 MTOR (0.43) GAAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2213015 0.79 GAA (0.35) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2215311 0.78 GAK (0.39) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2212641 0.78 CNR2 (0.43) GAAL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL2215269 0.77 MTOR (0.47) GAAL3MBTL1ALDH1A1KMT2AGAK

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 GAA 3274/4885L3MBTL1 4446/4885ALDH1A1 246/4885

“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.