SCHEMBL13014338

SCHEMBL13014338

COc1cnc2cccc(C(O)CN3CCC(NC(=O)c4ccc5c(c4)OCCO5)CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 7/20 0.60
KCNH2 Q12809 3/20 0.57
ACHE P22303 1/20 0.47
HTR7 P34969 1/20 0.46
SLC6A12 P48065 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNJ1 P48048 1/20 0.42
DRD4 P21917 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
SCHEMBL4758370 0.89 KCNH2 (0.58) SLC2A1KCNH2
SCHEMBL14519825 0.89 SLC2A1 (0.76) SLC2A1KCNH2ACHE
SCHEMBL13014300 0.86 SLC2A1 (0.55) SLC2A1KCNH2KCNJ1
SCHEMBL3775156 0.85 KCNH2 (0.79) SLC2A1KCNH2
SCHEMBL4760076 0.84 KCNH2 (0.57) SLC2A1KCNH2HTR7
SCHEMBL3786610 0.82 KCNH2 (0.74) SLC2A1KCNH2
SCHEMBL3779600 0.81 KCNH2 (0.63) SLC2A1KCNH2
SCHEMBL3775094 0.81 KCNH2 (0.53) SLC2A1KCNH2KCNJ1
SCHEMBL13014304 0.81 SLC2A1 (0.55) SLC2A1NPC1RAB9ADRD4
SCHEMBL3769272 0.80 SLC2A1 (0.53) SLC2A1KCNH2KCNJ1

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 2 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

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 SLC2A1 4605/4885KCNH2 3216/4885ACHE 700/4885

“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.