SCHEMBL5199033

SCHEMBL5199033

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
MOK Q9UQ07 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 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
SCHEMBL5222994 0.95 L3MBTL1 (0.38) L3MBTL1ALDH1A1ALOX15PTGS2KDM4E
SCHEMBL5198279 0.92 L3MBTL1 (0.44) L3MBTL1ALDH1A1ALOX15PTGS2KDM4E
SCHEMBL5198488 0.90 L3MBTL1 (0.39) L3MBTL1ALDH1A1ALOX15PTGS2KDM4E
SCHEMBL5196861 0.90 GRIN2B (0.39) ALDH1A1GRIN2BKMT2ANPC1TP53
SCHEMBL5197827 0.89 ALDH1A1 (0.42) L3MBTL1ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5222794 0.89 NR1H4 (0.36) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5198225 0.89 JAK2 (0.35) L3MBTL1ALDH1A1ALOX15HPGDKMT2A
SCHEMBL5315052 0.88 PRKCA (0.39) L3MBTL1ALDH1A1ALOX15KDM4EHPGD
SCHEMBL5216604 0.88 PRKCA (0.36) ALDH1A1HPGDGRIN2BMAPTTP53
SCHEMBL5217338 0.87 GRIN2B (0.39) ALDH1A1GRIN2BPRKCAMMP12SCN9A

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 1887/4885ALDH1A1 1627/4885ALOX15 1356/4885

“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.