SCHEMBL5439142

SCHEMBL5439142

O=C1COc2ccc(CNCC3CCCC(C(=O)O)C3)nc2N1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 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
SCHEMBL17970284 0.89 KCNH2 (0.46) KCNH2
SCHEMBL5519429 0.80 KCNH2 (0.35) KCNH2
SCHEMBL5438244 0.80 KCNH2 (0.35) KCNH2
SCHEMBL5519433 0.80 KCNH2 (0.35) KCNH2
SCHEMBL5316143 0.79 PARP1 (0.58)
SCHEMBL5262012 0.79 KCNH2 (0.54) KCNH2
SCHEMBL5262019 0.79 KCNH2 (0.54) KCNH2
SCHEMBL3273209 0.79 KCNH2 (0.43) KCNH2
SCHEMBL3576397 0.78 KCNH2 (0.45) KCNH2
SCHEMBL5263291 0.78 KCNH2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 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 (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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B KCNH2 3363/4885

“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.