SCHEMBL20110367

SCHEMBL20110367

COc1nc2c(s1)C(O)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ADORA1 P30542 2/20 0.35
EHMT2 Q96KQ7 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NR1H2 P55055 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4B Q07343 1/20 0.33
NAMPT P43490 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NSD2 O96028 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL21638847 0.83 NR1H2 (0.37) MAPTEHMT2DDB1CRBNNR1H2
SCHEMBL19019860 0.78 GPR119 (0.38) MAPTDDB1CRBNNR1H2ALDH1A1
SCHEMBL20111128 0.77 MAPT (0.33) MAPTEHMT2DDB1CRBNNAMPT
SCHEMBL4236917 0.75 PAX8 (0.41) GPR119
SCHEMBL18107017 0.75 MAPT (0.36) MAPTADORA1DDB1CRBNNR1H2
SCHEMBL13654737 0.74 GPR119 (0.41) MAPTALDH1A1NAMPTGPR119
SCHEMBL21638837 0.73 MEN1 (0.34) MAPTDDB1CRBNALDH1A1PDE4B
SCHEMBL16624055 0.72 ADORA1 (0.52) MAPTADORA1NR1H2KDM4E
SCHEMBL17081077 0.72 NR1H2 (0.44) MAPTDDB1CRBNNR1H2ALDH1A1
SCHEMBL15282745 0.71 ADORA1 (0.44) MAPTADORA1NR1H2ALDH1A1KDM4E

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-20180118765-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-05-03 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-20180118765-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, LCT MAPT 3971/4885ADORA1 3298/4885EHMT2 2992/4885

“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.