SCHEMBL5216547

SCHEMBL5216547

COc1cccc(-c2ccc(-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC(=O)N3CCOCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5198176 0.93 GRIN1 (0.46) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5434937 0.92 PTGS2 (0.46) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5198409 0.91 GRIN2B (0.43) ALDH1A1MAPTGRIN2BMAPK1TP53
SCHEMBL5252018 0.90 GRIN2B (0.47) ALDH1A1RAB9ANPC1MAPTGRIN2B
SCHEMBL5439046 0.89 PRKCA (0.44) ALDH1A1MAPTGRIN2BMAPK1TP53
SCHEMBL5219597 0.88 PRKCA (0.38) MAPTGRIN2BMAPK1KDM4EHPGD
SCHEMBL5197827 0.88 ALDH1A1 (0.42) ALDH1A1ALOX15RAB9ANPC1MAPT
SCHEMBL5196260 0.88 GRIN2B (0.40) ALDH1A1MAPTGRIN2BMAPK1TP53
SCHEMBL5198832 0.87 MAPK1 (0.42) ALDH1A1RAB9AMAPTGRIN2BUSP2
SCHEMBL5223713 0.87 PRKCA (0.43) SMN1; SMN2PRKCAMMP12

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 1356/4885RAB9A 1939/4885

“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.