SCHEMBL5222794

SCHEMBL5222794

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
MTOR P42345 3/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
MAPK1 P28482 4/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4D Q08499 1/20 0.35
PIK3CA P42336 1/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5198805 0.94 MAPK1 (0.41) MTORALDH1A1MAPTKMT2AMAPK1
SCHEMBL5217338 0.92 GRIN2B (0.39) ALDH1A1JAK2SCN9A
SCHEMBL5198279 0.90 L3MBTL1 (0.44) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL5198225 0.90 JAK2 (0.35) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL5198488 0.90 L3MBTL1 (0.39) ALDH1A1MAPTTP53L3MBTL1HPGD
SCHEMBL5197220 0.89 HRH1 (0.41) ALDH1A1MEN1KMT2AHPGDSCN9A
SCHEMBL5315052 0.89 PRKCA (0.39) ALDH1A1MAPTJAK2JAK1TYK2
SCHEMBL5197827 0.89 ALDH1A1 (0.42) MTORALDH1A1MAPTMAPK1TP53
SCHEMBL5222994 0.89 L3MBTL1 (0.38) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL5199033 0.89 L3MBTL1 (0.38) NR1H4ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H4 162/4885MTOR 3025/4885ALDH1A1 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.