SCHEMBL5242802

SCHEMBL5242802

CCc1cccc(-c2cc(-c3cccc(CC)c3)c3nonc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.39
NOTUM Q6P988 1/20 0.39
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LRRK2 Q5S007 1/20 0.35
GRIN2B Q13224 2/20 0.35
LMNA P02545 1/20 0.35
FGFR1 P11362 1/20 0.34
TGFBR1 P36897 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL4744895 0.84 GRIN2B (0.39) BCL2NOTUMIDO1ALDH1A1KMT2A
SCHEMBL5246540 0.81 MAP4K4 (0.41) KMT2ALRRK2FGFR1
SCHEMBL5291152 0.77 TDO2 (0.46) NOTUMALDH1A1KMT2A
SCHEMBL5245799 0.74 KDM4E (0.41) NOTUMIDO1
SCHEMBL5547358 0.72 BCL2 (0.62) BCL2NOTUMIDO1NISCHPTGS2
SCHEMBL29489424 0.72 BCL2 (0.62) BCL2NOTUMIDO1NISCHPTGS2
SCHEMBL11870844 0.68 BCL2 (0.51) BCL2NOTUMIDO1ALDH1A1NISCH
SCHEMBL19923215 0.66 BCL2 (0.56) BCL2NOTUMIDO1NISCHPTGS2
SCHEMBL3037130 0.66 BCL2 (0.67) BCL2NOTUMIDO1NISCHPTGS2
SCHEMBL8241482 0.66 IDO1 (0.51) BCL2NOTUMIDO1NISCHPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP BCL2 1390/4885NOTUM 1268/4885IDO1 805/4885

“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.