SCHEMBL4868472

SCHEMBL4868472

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)Nc4nccs4)ccc3n2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GCK P35557 1/20 0.33
EGFR P00533 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL4877221 0.90 KCNA5 (0.36) ALDH1A1GCKEGFRUSP2TSHR
SCHEMBL4876033 0.89 KCNH2 (0.40) KCNH2HRH3
SCHEMBL4868457 0.87 NPC1 (0.38) ALDH1A1GCKEGFRPKMHSD17B10
SCHEMBL4868481 0.87 LMNA (0.39) ALDH1A1PKMHSD17B10POLBLMNA
SCHEMBL14269763 0.87 KCNH2 (0.36) KCNH2HRH3
SCHEMBL4872710 0.87 ALDH1A1 (0.34) ALDH1A1GCKEGFRUSP2TSHR
SCHEMBL4878151 0.85 KCNH2 (0.38) KCNH2HRH3
SCHEMBL3931424 0.85 KCNH2 (0.38) KCNH2HRH3
SCHEMBL4875208 0.84 AURKA (0.35) ALDH1A1GCKPKMHTTNPSR1
SCHEMBL4874030 0.84 KCNH2 (0.39) KCNH2HRH3ALDH1A1TLR8TLR7

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 4258/4885ALDH1A1 1357/4885

“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.