SCHEMBL14845162

SCHEMBL14845162

O=C(O)c1cn(C2CC2)c2cc(O)c(O)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 4/20 0.57
TOP2A P11388 4/20 0.57
TOP2B Q02880 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 1/20 0.57
MAPT P10636 1/20 0.54
PIK3CG P48736 6/20 0.51
PIK3CD O00329 5/20 0.51
PIK3R1 P27986 5/20 0.51
PIK3CA P42336 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4299077 0.89 KDM4E (0.65) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL15991947 0.87 MEN1 (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL10630895 0.84 KDM4E (0.57) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL22506562 0.84 KDM4E (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL501238 0.84 KDM4E (0.69) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL29442121 0.84 KDM4E (0.69) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL9844577 0.84 KDM4E (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL15680186 0.83 KDM4E (0.43) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL27977084 0.83 KDM4E (0.60) KDM4EALDH1A1TOP2ATOP2BLMNA
Fluoride SCHEMBL5143436 0.82 KDM4E (0.66) KDM4EALDH1A1TOP2ATOP2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
CN-104039152-A Antibacterial compounds GLAXO GROUP LTD 2014-09-10 CN disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 WO disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 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-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 KDM4E 3556/4885ALDH1A1 3841/4885TOP2A 474/4885

“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.