SCHEMBL3781930

SCHEMBL3781930

COc1cnc2cccc(C(O)CN3CCC(NCc4cc5ccccc5o4)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.52
KCNH2 Q12809 5/20 0.51
CCR8 P51685 1/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2B P41595 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4275508 0.89 KCNH2 (0.65) SLC2A1KCNH2CCR8
SCHEMBL3770941 0.85 KCNH2 (0.60) SLC2A1KCNH2
SCHEMBL3781666 0.85 SLC2A1 (0.53) SLC2A1KCNH2
SCHEMBL3771607 0.84 KCNH2 (0.57) SLC2A1KCNH2
SCHEMBL3779184 0.83 SLC2A1 (0.52) SLC2A1KCNH2CCR8
SCHEMBL5777778 0.81 SLC2A1 (0.47) SLC2A1KCNH2HTR1ADRD2HTR2B
SCHEMBL4708308 0.81 KCNH2 (0.52) SLC2A1KCNH2
SCHEMBL3774752 0.80 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL3779600 0.80 KCNH2 (0.63) SLC2A1KCNH2
SCHEMBL3775156 0.80 KCNH2 (0.79) SLC2A1KCNH2

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 SLC2A1 4605/4885KCNH2 3216/4885CCR8 4580/4885

“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.