SCHEMBL5225066

SCHEMBL5225066

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MTOR P42345 1/20 0.32
GRIN2B Q13224 1/20 0.32
DHODH Q02127 1/20 0.32
HIF1A Q16665 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
SCHEMBL5222056 0.94 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPKDM4E
SCHEMBL5198859 0.89 KCNH2 (0.34) KCNH2HRH3ALDH1A1TLR9TLR8
SCHEMBL29532555 0.88 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL5196593 0.88 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPGRIN2B
SCHEMBL4879187 0.87 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPKDM4E
SCHEMBL5934559 0.84 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTLR9
SCHEMBL5198484 0.84 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL3931408 0.84 KCNH2 (0.37) KCNH2HRH3BRD4CREBBPTP53
SCHEMBL5196718 0.84 KCNH2 (0.36) KCNH2HRH3BRD4CREBBPKDM4E
SCHEMBL4875180 0.83 KCNH2 (0.38) KCNH2HRH3BRD4CREBBPTP53

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
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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 3113/4885BRD4 233/4885

“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.