SCHEMBL4874701

SCHEMBL4874701

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCOCC5)CC4)ccc3n2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PDE7A Q13946 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.32
SMO Q99835 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4877273 0.95 TP53 (0.40) TP53KCNH2HRH3CBX7CDYL2
SCHEMBL3931408 0.95 KCNH2 (0.37) TP53KCNH2HRH3BRD4CREBBP
SCHEMBL4875180 0.94 KCNH2 (0.38) TP53KCNH2HRH3BRD4CREBBP
SCHEMBL4876338 0.91 KCNH2 (0.39) TP53KCNH2HRH3GAASMO
SCHEMBL4874030 0.91 KCNH2 (0.39) TP53KCNH2HRH3GAA
SCHEMBL4876216 0.91 KCNH2 (0.39) TP53KCNH2HRH3GAA
SCHEMBL4868308 0.90 KCNH2 (0.38) TP53KCNH2HRH3GAALMNA
SCHEMBL4868424 0.90 CBX7 (0.38) TP53GSK3BDYRK1ACBX7CDYL2
SCHEMBL4874715 0.89 BRD4 (0.38) TP53KCNH2HRH3GSK3BDYRK1A
SCHEMBL4878251 0.89 KCNH2 (0.38) TP53KCNH2HRH3GAA

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 TP53 3049/4885KCNH2 2647/4885HRH3 4258/4885

“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.