SCHEMBL4763787

SCHEMBL4763787

CCOC(=O)c1cnc(-c2ccncc2)[nH]c1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ GAA P10253 1/20 0.52
▸ CDC7 O00311 2/20 0.50
▸ DBF4 Q9UBU7 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ PKN1 Q16512 1/20 0.49
▸ PKN2 Q16513 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CDK5 Q00535 2/20 0.48
▸ CDK5R1 Q15078 2/20 0.48
▸ CSNK1D P48730 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ CASP1 P29466 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FOS P01100 1/20 0.46
▸ JUN P05412 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL2897245 0.88 KDM4E (0.72) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL4949585 0.86 KDM4E (0.63) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL4376727 0.85 KDM4E (0.76) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11628696 0.85 KDM4E (0.75) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL23574396 0.84 KDM4E (0.64) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL8949035 0.84 KDM4E (0.60) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL9199571 0.81 KDM4E (0.67) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL15358441 0.80 KDM4E (0.47) KDM4EALDH1A1L3MBTL1GAACDC7
SCHEMBL4770414 0.79 NPY5R (0.49) ALDH1A1MAPT
SCHEMBL2900702 0.79 KDM4E (0.57) KDM4EALDH1A1L3MBTL1GAAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 — — EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 — — US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — US disclosed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 — — EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 — — 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 KDM4E 4142/4885ALDH1A1 852/4885L3MBTL1 461/4885

“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.

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