SCHEMBL2213015

SCHEMBL2213015

C[C@@H]1CN(c2ccc(-c3cscn3)nc2C=O)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
MTOR P42345 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAK O14976 4/20 0.33
KMT2A Q03164 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CA P42336 2/20 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 0.80 PIK3R1 (0.44) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2212128 0.80 MTOR (0.45) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2215615 0.79 TDP1 (0.42) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2216714 0.79 GAA (0.38) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2215037 0.78 RAB9A (0.39) GAAKDM4EHTTL3MBTL1GAK
SCHEMBL2214863 0.78 GAK (0.36) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2216197 0.77 GAA (0.40) GAAKDM4EHTTL3MBTL1KMT2A
SCHEMBL2212136 0.77 TDP1 (0.39) GAAKDM4EHTTMTORL3MBTL1
SCHEMBL2214851 0.77 KDM4E (0.36) GAAKDM4EHTTGAKKMT2A
SCHEMBL2213596 0.77 GAK (0.37) GAAKDM4EHTTMTORL3MBTL1

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 3274/4885KDM4E 4617/4885HTT 3702/4885

“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.