SCHEMBL4494398

SCHEMBL4494398

N#Cc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)[C@@H](O)C3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.50
PLAU P00749 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
Hydrochloric Acid SCHEMBL4505772 0.99 KCNH2 (0.49) KCNH2PLAUKDM4EMEN1ALDH1A1
SCHEMBL4502729 0.81 KCNH2 (0.52) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL4522945 0.81 KCNH2 (0.54) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL4507976 0.81 KCNH2 (0.54) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL13407415 0.80 KCNH2 (0.41) KCNH2PLAU
SCHEMBL13407410 0.80 KCNH2 (0.41) KCNH2PLAU
SCHEMBL13407413 0.80 KCNH2 (0.41) KCNH2PLAU
Hydrochloric Acid SCHEMBL4566072 0.79 KCNH2 (0.41) KCNH2PLAU
Hydrochloric Acid SCHEMBL4566073 0.79 KCNH2 (0.41) KCNH2PLAU
Hydrochloric Acid SCHEMBL4558991 0.79 KCNH2 (0.41) KCNH2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 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
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP 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-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS KCNH2 3731/4885PLAU 3798/4885KDM4E 4273/4885

“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.