SCHEMBL4769855

SCHEMBL4769855

O=C(O)c1cn2c(nc1=O)NCCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK10 P53779 1/20 0.34
SPR P35270 2/20 0.32
RAB9A P51151 1/20 0.32
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL11097275 0.74 WDR5 (0.46) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL11193638 0.72 ALDH1A1 (0.41) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL2608598 0.68 UHRF1 (0.37) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9570028 0.68 KDM4E (0.35) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL19514974 0.68 KDM4E (0.35) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9597366 0.68 KDM4E (0.32) KDM4EALDH1A1POLB
SCHEMBL4766087 0.67 ALDH1A1 (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL7008953 0.66 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL16387194 0.65 KDM4E (0.32) KDM4EALDH1A1POLBRAB9A
SCHEMBL9869341 0.64 POLB (0.38) KDM4EALDH1A1POLBSPRRAB9A

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 852/4885POLB 150/4885

“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.