SCHEMBL4770342

SCHEMBL4770342

O=C(O)c1n[nH]c2ncccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
AGER Q15109 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 2/20 0.43
CAMKK2 Q96RR4 1/20 0.41
AURKA O14965 1/20 0.40
PARP1 P09874 1/20 0.40
MAPK1 P28482 1/20 0.40
FEN1 P39748 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL1048847 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL29623160 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL6338427 0.86 CAMKK2 (0.43) KDM4EALDH1A1ADORA2ACAMKK2AURKA
SCHEMBL28098788 0.80 MAP2K1 (0.41) KDM4EALDH1A1CAMKK2AURKAPARP1
SCHEMBL618089 0.79 POLB (0.58) KDM4EALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL29732854 0.77 CAMKK2 (0.46) KDM4EALDH1A1CAMKK2AURKAPARP1
SCHEMBL1384475 0.77 CAMKK2 (0.46) KDM4EALDH1A1CAMKK2AURKAPARP1
SCHEMBL5924295 0.77 KDM4E (0.40) KDM4EALDH1A1CAMKK2AURKAPARP1
SCHEMBL5924436 0.77 MAP2K1 (0.43) KDM4EALDH1A1CAMKK2AURKAPARP1
SCHEMBL12311271 0.76 KMT2A (0.38) KDM4EALDH1A1MAPTTSHRL3MBTL1

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 852/4885MAPT 3122/4885

“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.