SCHEMBL3779600

SCHEMBL3779600

COc1cnc2cccc(C(O)CN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.63
SLC2A1 P11166 2/20 0.50

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
SCHEMBL3775156 0.89 KCNH2 (0.79) KCNH2SLC2A1
SCHEMBL4760024 0.88 KCNH2 (0.57) KCNH2
SCHEMBL3786610 0.86 KCNH2 (0.74) KCNH2SLC2A1
SCHEMBL13921369 0.85 KCNH2 (0.81) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6271264 0.85 KCNH2 (0.80) KCNH2SLC2A1
SCHEMBL3781666 0.85 SLC2A1 (0.53) KCNH2SLC2A1
SCHEMBL5439267 0.84 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL5745184 0.83 KCNH2 (0.77) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5744845 0.82 KCNH2 (0.76) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5744844 0.82 KCNH2 (0.65) 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B KCNH2 3216/4885SLC2A1 4605/4885

“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.