SCHEMBL5264502

SCHEMBL5264502

COc1cnc2cccc(C(O)CN3C4CCC3CC(NCc3ccc5c(c3)NC(=O)CO5)C4)c2n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
HTR1D P28221 6/20 0.41
HTR1A P08908 4/20 0.41
HTR1B P28222 4/20 0.41
ADRB1 P08588 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC2A1 P11166 1/20 0.38

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
SCHEMBL5435951 0.90 KCNH2 (0.49) KCNH2SLC2A1
SCHEMBL5267578 0.90 KCNH2 (0.43) KCNH2HTR1DHTR1AHTR1BADRB1
SCHEMBL5430719 0.88 KCNH2 (0.43) KCNH2
SCHEMBL5435874 0.87 KCNH2 (0.53) KCNH2
SCHEMBL5444505 0.87 SLC2A1 (0.38) SLC2A1
SCHEMBL5433390 0.86 KCNH2 (0.50) KCNH2SLC2A1
SCHEMBL5430918 0.86 KCNH2 (0.45) KCNH2SLC2A1
SCHEMBL5447215 0.85 KCNH2 (0.46) KCNH2
SCHEMBL5315229 0.82 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL5429628 0.82 KCNH2 (0.41) 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 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 3363/4885HTR1D 4684/4885HTR1A 4666/4885

“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.