SCHEMBL5197827

SCHEMBL5197827

COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTOR P42345 2/20 0.37
PIK3CA P42336 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAK O14976 1/20 0.36
AVPR1B P47901 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL5198488 0.94 L3MBTL1 (0.39) ALDH1A1ALOX15MAPTL3MBTL1NPC1
SCHEMBL5198279 0.93 L3MBTL1 (0.44) ALDH1A1ALOX15MAPTL3MBTL1NPC1
SCHEMBL5254215 0.92 GCGR (0.38) ALDH1A1ALOX15L3MBTL1MTOR
SCHEMBL5197877 0.91 GRIN2B (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5197401 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBTSHRUSP2
SCHEMBL5198805 0.91 MAPK1 (0.41) ALDH1A1MAPTL3MBTL1SMN1; SMN2MTOR
SCHEMBL5196805 0.90 GRIN2B (0.40) MAPTRAB9AMTORTP53
SCHEMBL5220936 0.90 POLB (0.37) ALDH1A1MAPTMTORPOLB
SCHEMBL5310421 0.90 PRKCA (0.35) ALDH1A1MTORTSHRTP53
SCHEMBL5222994 0.89 L3MBTL1 (0.38) ALDH1A1ALOX15MAPTL3MBTL1NPC1

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 ALDH1A1 1627/4885ALOX15 1356/4885MAPT 2534/4885

“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.