SCHEMBL2768016

SCHEMBL2768016

O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CN1CCC(NCc2cc3c(cn2)OCS3)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.66
SLC2A1 P11166 2/20 0.45
TOP2A P11388 1/20 0.41

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
SCHEMBL2768409 1.00 KCNH2 (0.66) KCNH2SLC2A1TOP2A
SCHEMBL3469342 1.00 KCNH2 (0.66) KCNH2SLC2A1TOP2A
SCHEMBL2767951 0.94 KCNH2 (0.68) KCNH2SLC2A1TOP2A
SCHEMBL2767542 0.94 KCNH2 (0.68) KCNH2SLC2A1TOP2A
SCHEMBL13244867 0.91 KCNH2 (0.56) KCNH2SLC2A1TOP2A
SCHEMBL3469114 0.91 KCNH2 (0.56) KCNH2SLC2A1TOP2A
SCHEMBL2768460 0.91 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL3478626 0.91 KCNH2 (0.54) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL2768275 0.90 KCNH2 (0.53) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL2770784 0.90 KCNH2 (0.53) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US claimed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US claimed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP claimed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US claimed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
EP-1963324-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
WO-2009000745-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US 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 (3 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-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 KCNH2 3013/4885SLC2A1 3396/4885TOP2A 39/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT KCNH2 2498/4885SLC2A1 4038/4885TOP2A 737/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH KCNH2 1599/4885SLC2A1 4196/4885TOP2A 89/4885

“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.