SCHEMBL335665

SCHEMBL335665

N#Cc1ncc(C=O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
BCAT1 P54687 1/20 0.34
ALDH1A3 P47895 2/20 0.33
ALDH3A1 P30838 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
HTT P42858 3/20 0.31
GAA P10253 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
S100A9 P06702 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
OPRK1 P41145 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1008622 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBBCAT1HTT
SCHEMBL15157663 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBTDP1MAPT
SCHEMBL1063495 0.79 KDM4E (0.39) ALDH1A1KDM4EPOLB
SCHEMBL1063497 0.79 KDM4E (0.39) ALDH1A1KDM4EPOLB
SCHEMBL13198899 0.78 EGLN2 (0.38) ALDH1A1KDM4EPOLBSMN1; SMN2L3MBTL1
SCHEMBL335666 0.78 KDM4E (0.33) ALDH1A1KDM4EPOLBALDH1A3PIK3CD
SCHEMBL1008652 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBBCAT1TDP1
SCHEMBL1008653 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBBCAT1TDP1
SCHEMBL2075906 0.74 ALDH1A1 (0.49) ALDH1A1TDP1CSNK1A1CLK4MAPT
SCHEMBL116316 0.74 ALDH1A1 (0.46) ALDH1A1ALDH1A3ALDH3A1TDP1MAPT

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 9 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
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
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
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 612/4885KDM4E 4508/4885POLB 490/4885

“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.