SCHEMBL4876339

SCHEMBL4876339

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)NS(C)(=O)=O)cc5n4CC(=O)N(C)C)ccc3n2)s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
CASP3 P42574 1/20 0.31
CDK9 P50750 1/20 0.31
CASP7 P55210 1/20 0.31
MAPT P10636 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
SCHEMBL4877767 0.93 KCNH2 (0.37) KCNH2HRH3
SCHEMBL4878151 0.90 KCNH2 (0.38) KCNH2HRH3CDK1CDK2CASP3
SCHEMBL4877206 0.88 KCNH2 (0.34) KCNH2HRH3
SCHEMBL4874099 0.86 KCNH2 (0.32) KCNH2HRH3
SCHEMBL4876350 0.86 ALDH1A1 (0.32) KCNH2HRH3
SCHEMBL4876033 0.84 KCNH2 (0.40) KCNH2HRH3
SCHEMBL3931424 0.83 KCNH2 (0.38) KCNH2HRH3
SCHEMBL4872042 0.81 KCNH2 (0.38) KCNH2HRH3
SCHEMBL4875355 0.81 KCNH2 (0.38) KCNH2HRH3
SCHEMBL5197919 0.80 KCNH2 (0.38) KCNH2HRH3CDK1CDK2CASP3

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 4258/4885CDK1 1613/4885

“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.