SCHEMBL4772015

SCHEMBL4772015

CCOC(=O)c1cnc(NC)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
L3MBTL1 Q9Y468 6/20 0.53
GAA P10253 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
POLB P06746 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL22834791 0.86 KDM4E (0.54) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL1014580 0.81 KDM4E (0.58) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL10787999 0.81 PDE4B (0.51) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL15349575 0.80 MAPT (0.55) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL5032446 0.80 KDM4E (0.42) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL10782873 0.79 MAPT (0.61) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL18181685 0.79 KDM4E (0.51) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL15349377 0.79 KDM4E (0.49) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL2902593 0.79 ALDH1A1 (0.66) KDM4EL3MBTL1GAAMAPTALDH1A1
SCHEMBL7997265 0.79 KDM4E (0.55) KDM4EL3MBTL1GAAMAPTALDH1A1

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 4142/4885L3MBTL1 461/4885GAA 233/4885

“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.