SCHEMBL3774520

SCHEMBL3774520

COc1cnc2cccc(C(O)CN3CCC(NCc4ccc5c(c4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
SLC2A1 P11166 6/20 0.49
HTR1D P28221 6/20 0.46
HTR1A P08908 5/20 0.46
HTR1B P28222 4/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
KCNQ1 P51787 1/20 0.44
CACNA1C Q13936 1/20 0.44
ADRB1 P08588 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL6111878 1.00 KCNH2 (0.59) KCNH2SLC2A1HTR1DHTR1AHTR1B
SCHEMBL3782147 0.94 KCNH2 (0.59) KCNH2SLC2A1HTR1DHTR1AHTR1B
SCHEMBL5251668 0.90 KCNH2 (0.74) KCNH2SLC2A1DRD2DRD4KCNQ1
SCHEMBL5254892 0.90 KCNH2 (0.74) KCNH2SLC2A1DRD2DRD4KCNQ1
SCHEMBL3781197 0.89 KCNH2 (0.47) KCNH2SLC2A1HTR1DHTR1AHTR1B
SCHEMBL3774422 0.89 KCNH2 (0.48) KCNH2HTR1DHTR1AHTR1BDRD2
SCHEMBL3802794 0.87 KCNH2 (0.62) KCNH2SLC2A1KCNQ1CACNA1C
SCHEMBL13014300 0.87 SLC2A1 (0.55) KCNH2SLC2A1HTR1DHTR1AHTR1B
SCHEMBL3779625 0.86 HTR1A (0.55) KCNH2HTR1DHTR1AHTR1BDRD2
SCHEMBL4759561 0.86 SLC2A1 (0.46) KCNH2SLC2A1HTR1DHTR1AHTR1B

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 3 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

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 4605/4885HTR1D 3407/4885

“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.