SCHEMBL3581606

SCHEMBL3581606

O=C1CSc2ccc(CN[C@H]3CC[C@H](C(=O)Nc4ccnc5ccccc45)CC3)nc2N1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47

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
SCHEMBL13887312 1.00 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL3581512 0.99 KCNH2 (0.46) KCNH2
SCHEMBL4043254 0.88 KCNH2 (0.46) KCNH2
SCHEMBL6216077 0.79 KCNH2 (0.39) KCNH2
Hydrochloric Acid SCHEMBL6194315 0.78 KCNH2 (0.40) KCNH2
SCHEMBL5927783 0.78 KCNH2 (0.56) KCNH2
SCHEMBL13439858 0.77 KCNH2 (0.47) KCNH2
Hydrochloric Acid SCHEMBL4498000 0.77 KCNH2 (0.55) KCNH2
SCHEMBL4521362 0.77 KCNH2 (0.59) KCNH2
SCHEMBL13439991 0.77 KCNH2 (0.47) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA KCNH2 2854/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KCNH2 3731/4885

“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.