SCHEMBL4868308

SCHEMBL4868308

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
TP53 P04637 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMO Q99835 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2B Q13224 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4874030 0.95 KCNH2 (0.39) KCNH2HRH3TP53TLR9TLR8
SCHEMBL4876216 0.95 KCNH2 (0.39) KCNH2HRH3TP53TLR9TLR8
SCHEMBL4876338 0.95 KCNH2 (0.39) KCNH2HRH3TP53ALDH1A1SMO
SCHEMBL3938006 0.93 KCNH2 (0.38) KCNH2HRH3TP53ALDH1A1GAA
SCHEMBL4878251 0.93 KCNH2 (0.38) KCNH2HRH3TP53ALDH1A1GAA
SCHEMBL4877273 0.93 TP53 (0.40) KCNH2HRH3TP53ALDH1A1SMO
SCHEMBL3931408 0.93 KCNH2 (0.37) KCNH2HRH3TP53GAAGRIN2B
SCHEMBL4874551 0.92 KCNH2 (0.36) KCNH2HRH3TP53SMO
SCHEMBL4877163 0.92 KCNH2 (0.39) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL4875180 0.92 KCNH2 (0.38) KCNH2HRH3TP53GAAGRIN2B

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
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 KCNH2 2647/4885HRH3 4258/4885TP53 3049/4885

“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.