SCHEMBL5413630

SCHEMBL5413630

COc1cnc2cccc(C(O)CN3CCCC(CNCc4ccc5c(n4)NC(=O)CO5)C3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.47
KCNQ1 P51787 1/20 0.46
CACNA1C Q13936 1/20 0.46
HTR1A P08908 1/20 0.42

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
SCHEMBL5429690 0.89 KCNH2 (0.46) KCNH2KCNQ1CACNA1C
SCHEMBL5433187 0.88 HTR1A (0.48) KCNH2HTR1A
SCHEMBL5433288 0.88 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL5336939 0.87 KCNH2 (0.42) KCNH2
SCHEMBL3802794 0.86 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL5432954 0.83 KCNH2 (0.48) KCNH2
SCHEMBL5439267 0.82 KCNH2 (0.47) KCNH2
SCHEMBL5418771 0.81 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
SCHEMBL1526894 0.80 KCNH2 (0.57) KCNH2
SCHEMBL1527047 0.80 KCNH2 (0.57) 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 5 patents. 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
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B KCNH2 3363/4885KCNQ1 3051/4885CACNA1C 4723/4885

“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.