SCHEMBL4866941

SCHEMBL4866941

Cc1nc(C)c(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCOC(CN(C)C)C4)ccc3n2)o1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
SLC8A1 P32418 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRIN2B Q13224 1/20 0.31

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
SCHEMBL4877380 0.89 SCN9A (0.34) SCN9ASLC8A1BRD4CREBBPKCNH2
SCHEMBL4866924 0.89 KCNH2 (0.34) SCN9ASLC8A1KCNH2HRH3
SCHEMBL4877344 0.88 SCN9A (0.37) SCN9ASLC8A1BRD4CREBBPGRIN2B
SCHEMBL4877372 0.87 KCNH2 (0.37) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL4872000 0.87 GRIN2B (0.38) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL4877178 0.87 GRIN2B (0.38) BRD4CREBBPKCNH2HRH3GRIN2B
SCHEMBL4874848 0.86 ALDH1A1 (0.37) SCN9ASLC8A1
SCHEMBL4874128 0.82 SLC8A1 (0.33) SCN9ASLC8A1BRD4CREBBPKCNH2
SCHEMBL4866852 0.81 KCNH2 (0.37) KCNH2HRH3
SCHEMBL2982868 0.81 SLC8A1 (0.36) SLC8A1BRD4CREBBPGRIN2B

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 SCN9A 2977/4885SLC8A1 3881/4885BRD4 3577/4885

“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.