SCHEMBL335550

SCHEMBL335550

CC(C)(O)c1ncc(C=O)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A3 P47895 2/20 0.34
ALDH3A1 P30838 1/20 0.34
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
VCAM1 P19320 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 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
SCHEMBL14831113 0.83 ALDH1A1 (0.37) ALDH1A1L3MBTL1ALDH1A3ALDH3A1NR3C1
SCHEMBL1581757 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1ALDH1A3ALDH3A1
SCHEMBL28951834 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH1A3ALDH3A1VCAM1
SCHEMBL17186974 0.76 PLAU (0.40) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL364528 0.74 HSD17B10 (0.34)
SCHEMBL335733 0.74 RECQL (0.35) KCNJ5KCNJ3
SCHEMBL25206015 0.73 PLAU (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL29818360 0.73 PLAU (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL4325787 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1ALDH1A3ALDH3A1VCAM1
SCHEMBL29581019 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1ALDH1A3ALDH3A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
CN-102105473-B Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2013-05-08 CN disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
CN-102105473-A Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2011-06-22 CN disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB ALDH1A1 612/4885L3MBTL1 4667/4885ALDH1A3 1456/4885

“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.