SCHEMBL4744895

SCHEMBL4744895

CCc1cccc(-c2cc(Cl)c3nonc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.39
BCL2 P10415 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGS2 P35354 1/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5242802 0.84 BCL2 (0.39) GRIN2BBCL2NOTUMPTGS2IDO1
SCHEMBL4743550 0.81 AKR1C2 (0.43) GRIN2BKMT2AL3MBTL1MEN1NPC1
SCHEMBL4745394 0.78 ADORA2A (0.44) NOTUMALDH1A1KMT2AMAPTKDM4E
SCHEMBL4786410 0.75 CASP3 (0.43) GRIN2BNOTUMIDO1ALDH1A1KMT2A
SCHEMBL4746865 0.73 MEN1 (0.46) ALDH1A1KMT2AMAPTLMNAL3MBTL1
SCHEMBL4744894 0.72 MAPT (0.37) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL29489424 0.71 BCL2 (0.62) BCL2NOTUMPTGS2IDO1NISCH
SCHEMBL5547358 0.71 BCL2 (0.62) BCL2NOTUMPTGS2IDO1NISCH
SCHEMBL22296375 0.69 BCL2 (0.50) GRIN2BBCL2NOTUMPTGS2IDO1
SCHEMBL4746064 0.69 EPAS1 (0.37) GRIN2BALDH1A1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
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 GRIN2B 4223/4885BCL2 1390/4885NOTUM 1268/4885

“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.