SCHEMBL5198488

SCHEMBL5198488

COc1cc(OC)cc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
USP2 O75604 1/20 0.36
SCN9A Q15858 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL5198279 0.95 L3MBTL1 (0.44) L3MBTL1PTGS2ALDH1A1MAPTALOX15
SCHEMBL5197827 0.94 ALDH1A1 (0.42) L3MBTL1ALDH1A1MAPTALOX15HSD17B10
SCHEMBL5198805 0.91 MAPK1 (0.41) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5197430 0.90 L3MBTL1 (0.36) L3MBTL1PTGS2ALDH1A1MAPTALOX15
SCHEMBL5197342 0.90 HPGD (0.41) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL5197401 0.90 ALDH1A1 (0.39) L3MBTL1PTGS2ALDH1A1KDM4EHPGD
SCHEMBL5199033 0.90 L3MBTL1 (0.38) L3MBTL1PTGS2ALDH1A1MAPTALOX15
SCHEMBL5222994 0.90 L3MBTL1 (0.38) L3MBTL1PTGS2ALDH1A1MAPTALOX15
SCHEMBL5222794 0.90 NR1H4 (0.36) L3MBTL1ALDH1A1MAPTKDM4EHPGD
SCHEMBL5197025 0.89 BRD4 (0.36) ALDH1A1KDM4EGAAGRIN2BSCN9A

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 6 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 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
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 L3MBTL1 1887/4885PTGS2 2807/4885ALDH1A1 1627/4885

“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.