SCHEMBL20111128

SCHEMBL20111128

C=CCONC1CN(C(=O)OC(C)(C)C)Cc2nc(OC)sc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
KLKB1 P03952 1/20 0.32
GLS O94925 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL21638825 0.89 NR1H2 (0.32) MAPTEHMT2KLKB1GLSDDB1
SCHEMBL21638846 0.80 GLS (0.31) GLS
SCHEMBL18107012 0.78 GLS (0.33) GLSNAMPT
SCHEMBL20110367 0.77 MAPT (0.37) MAPTEHMT2DDB1CRBNNAMPT
SCHEMBL20102315 0.77
SCHEMBL18114792 0.75 KRAS (0.34) GLS
SCHEMBL21638878 0.75 DTYMK (0.39) NAMPT
SCHEMBL5225649 0.74 POLB (0.38) MAPTNAMPT
SCHEMBL21638910 0.73 KMT2A (0.42) MAPTEHMT2NAMPT
SCHEMBL5186966 0.73 PREP (0.34) MAPTNAMPT

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 3971/4885EHMT2 2992/4885KLKB1 3825/4885

“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.