SCHEMBL335566

SCHEMBL335566

O=Cc1cnc(I)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ALDH1A3 P47895 3/20 0.38
S1PR4 O95977 1/20 0.36
ALDH3A1 P30838 2/20 0.35
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VCAM1 P19320 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL116316 0.78 ALDH1A1 (0.46) ALDH1A1ALDH1A3S1PR4ALDH3A1HSD17B10
SCHEMBL29436325 0.78 ALDH1A1 (0.46) ALDH1A1ALDH1A3S1PR4ALDH3A1HSD17B10
SCHEMBL14944013 0.76 ALDH1A1 (0.41) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL29581019 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL336038 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL4325787 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL29953607 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL29954683 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL7992585 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1
SCHEMBL9446729 0.75 ALDH1A1 (0.43) ALDH1A1ALDH1A3ALDH3A1HSD17B10L3MBTL1

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 612/4885ALDH1A3 1456/4885S1PR4 3597/4885

“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.