SCHEMBL2215731

SCHEMBL2215731

Cc1cscc1-c1cnc(N2C[C@@H](C)O[C@@H](C)C2)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
CYP2A6 P11509 5/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
CYP2B6 P20813 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 3/20 0.34
GAK O14976 2/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL3802983 1.00 L3MBTL1 (0.37) L3MBTL1CYP2A6CYP3A4CYP2C19PIK3CA
SCHEMBL2215288 0.83 L3MBTL1 (0.44) L3MBTL1CYP2C19PIK3CAALDH1A1KDM4E
SCHEMBL2213598 0.81 PIK3CA (0.35) L3MBTL1CYP3A4CYP2C19PIK3CAPIK3CD
SCHEMBL2216042 0.79 GAK (0.41) L3MBTL1PIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL2216394 0.79 CYP2A6 (0.43) L3MBTL1CYP2A6CYP3A4CYP2C19CYP2B6
SCHEMBL2216763 0.79 ERN1 (0.40) L3MBTL1CYP3A4CYP2C19PIK3CAPIK3CD
SCHEMBL2216045 0.79 ALDH1A1 (0.37) L3MBTL1CYP3A4CYP2C19PIK3CAPIK3CD
SCHEMBL2215017 0.79 GAK (0.35) L3MBTL1CYP3A4CYP2C19PIK3CAPIK3CD
SCHEMBL2215416 0.78 GAK (0.52) L3MBTL1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL2215363 0.78 LRRK2 (0.40) L3MBTL1PIK3CAALDH1A1KDM4EMEN1

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
US-20110178064-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA R&D (SE) 2011-07-21 US disclosed
EP-2178876-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009010801-A1 SPIRO CONDENSED BARBITURIC ACID DERIVATIVES FOR USE AS ANTIBACTERIAL ASTRAZENECA UK LIMITED (GB) 2009-01-22 WO 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 L3MBTL1 4446/4885CYP2A6 242/4885CYP3A4 1295/4885

“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.