SCHEMBL3779228

SCHEMBL3779228

COc1cnc2cccc(C(O)CN3CCN(CC(Cc4ccccc4)C4=COCO4)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 7/20 0.37
KDR P35968 1/20 0.36
CCR3 P51677 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MTNR1B P49286 2/20 0.34
MTNR1A P48039 1/20 0.34
ABCB1 P08183 2/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL3775912 0.83 KCNH2 (0.36) KCNH2LMNAGAAHTTSLC2A1
SCHEMBL5318472 0.81 KCNH2 (0.37) KCNH2LMNASLC2A1CCR3MTNR1B
SCHEMBL5254666 0.75 KCNH2 (0.57) KCNH2SLC2A1
SCHEMBL3779227 0.74 KCNH2 (0.51) KCNH2LMNAGAAHTTSLC2A1
SCHEMBL3775094 0.74 KCNH2 (0.53) KCNH2LMNAGAAHTTSLC2A1
SCHEMBL3779200 0.73 SLC2A1 (0.47) KCNH2LMNAGAAHTTSLC2A1
SCHEMBL3780005 0.73 KCNH2 (0.56) KCNH2LMNAHTTSLC2A1MAPT
SCHEMBL3775100 0.72 KCNH2 (0.36) KCNH2LMNAGAAHTTSLC2A1
SCHEMBL3772117 0.72 SLC2A1 (0.54) KCNH2SLC2A1CCR3MTNR1BMTNR1A
SCHEMBL3775540 0.71 SLC2A1 (0.42) KCNH2LMNAGAAHTTSLC2A1

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-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 KCNH2 3216/4885LMNA 1376/4885GAA 321/4885

“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.