SCHEMBL5222056

SCHEMBL5222056

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)c(F)c5n4CC(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
GRIN2B Q13224 2/20 0.33
MTOR P42345 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HRH1 P35367 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK14 Q16539 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
SCHEMBL5225066 0.94 KCNH2 (0.38) KCNH2HRH3GRIN2BMTORBRD4
SCHEMBL29532555 0.86 KCNH2 (0.37) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL5196593 0.86 KCNH2 (0.37) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL5934559 0.86 KCNH2 (0.37) KCNH2HRH3GRIN2BMTORBRD4
SCHEMBL4879187 0.86 KCNH2 (0.37) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL5198859 0.85 KCNH2 (0.34) KCNH2HRH3GRIN2BALDH1A1TLR9
SCHEMBL5198484 0.83 KCNH2 (0.37) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL3931408 0.83 KCNH2 (0.37) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL5196718 0.83 KCNH2 (0.36) KCNH2HRH3GRIN2BBRD4CREBBP
SCHEMBL4875180 0.82 KCNH2 (0.38) KCNH2HRH3GRIN2BBRD4CREBBP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 KCNH2 3202/4885HRH3 3113/4885GRIN2B 1821/4885

“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.