SCHEMBL3229489

SCHEMBL3229489

O=c1ccc2cccc3c2n1CCC3CN1CCC(NCc2cc3c(cn2)OCCO3)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.62
TOP2A P11388 1/20 0.48
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL3230434 0.99 KCNH2 (0.61) KCNH2TOP2ASLC2A1
SCHEMBL3141859 0.93 KCNH2 (0.69) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3142134 0.93 KCNH2 (0.68) KCNH2TOP2ASLC2A1
SCHEMBL3223004 0.87 KCNH2 (0.71) KCNH2TOP2A
SCHEMBL3215054 0.87 KCNH2 (0.67) KCNH2TOP2ASLC2A1
Hydrochloric Acid SCHEMBL3234018 0.86 KCNH2 (0.70) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3228074 0.86 KCNH2 (0.70) KCNH2TOP2A
Hydrochloric Acid SCHEMBL3227944 0.86 KCNH2 (0.66) KCNH2TOP2ASLC2A1
SCHEMBL3225912 0.85 KCNH2 (0.60) KCNH2
SCHEMBL3140590 0.85 TOP2A (0.61) KCNH2TOP2A

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US claimed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KCNH2 3105/4885TOP2A 113/4885SLC2A1 4172/4885

“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.