SCHEMBL5226548

SCHEMBL5226548

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3)n(CC(=O)O)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.39
HRH3 Q9Y5N1 6/20 0.39
ALOX5AP P20292 1/20 0.33
CAMKK2 Q96RR4 1/20 0.31
ACP1 P24666 1/20 0.31
DHODH Q02127 3/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5199576 0.87 KCNH2 (0.38) KCNH2HRH3KDM4EHPGDALDH1A1
SCHEMBL5225066 0.83 KCNH2 (0.38) KCNH2HRH3DHODHKDM4EHPGD
SCHEMBL3931424 0.83 KCNH2 (0.38) KCNH2HRH3
SCHEMBL5218646 0.82 KCNH2 (0.39) KCNH2HRH3DHODHL3MBTL1
SCHEMBL27691029 0.81 KCNH2 (0.38) KCNH2HRH3
SCHEMBL10293490 0.81 KCNH2 (0.38) KCNH2HRH3KDM4EHPGDALDH1A1
SCHEMBL5198502 0.80 KCNH2 (0.37) KCNH2HRH3CAMKK2ALDH1A1MAPT
SCHEMBL4876033 0.80 KCNH2 (0.40) KCNH2HRH3DHODH
SCHEMBL5198817 0.80 KCNH2 (0.36) KCNH2HRH3KDM4EHPGDMEN1
SCHEMBL5196997 0.78 KCNH2 (0.35) KCNH2HRH3KDM4EHPGDALDH1A1

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
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 3113/4885ALOX5AP 2964/4885

“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.