SCHEMBL5043773

SCHEMBL5043773

COc1ccc(OCc2nc(-c3cc(C(=O)NCC(C)C)c(C)n3CC(C)C)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
BCHE P06276 4/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5039254 0.91 KLKB1 (0.44) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5044942 0.90 HPGD (0.48) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5049140 0.89 PPARD (0.48) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5048579 0.89 MAPT (0.43) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5045004 0.88 POLB (0.43) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5048600 0.88 NPC1 (0.50) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5045076 0.87 MAPT (0.40) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5044164 0.86 KLKB1 (0.51) POLBMAPTRAB9ANPC1HPGD
SCHEMBL5043924 0.85 CDC25A (0.46) L3MBTL1POLBMAPTRAB9ANPC1
SCHEMBL5039546 0.80 KLKB1 (0.43) L3MBTL1POLBMAPTRAB9ANPC1

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R L3MBTL1 4036/4885POLB 4559/4885MAPT 3334/4885

“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.