SCHEMBL5045076

SCHEMBL5045076

COc1ccc(OCc2nc(-c3cc(C(=O)NCC(C)C)c(C)n3CC3CCCCC3)cs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5039634 0.89 MAPT (0.39) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5043686 0.89 HPGD (0.42) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5044108 0.89 MAPT (0.40) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5043924 0.89 CDC25A (0.46) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL5045004 0.89 POLB (0.43) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5047852 0.88 PPARD (0.45) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5044797 0.88 KLKB1 (0.48) MAPTMEN1ALDH1A1LMNACRHBP
SCHEMBL5043773 0.87 L3MBTL1 (0.45) MAPTALDH1A1PPARDPPARANPC1
SCHEMBL5039254 0.86 KLKB1 (0.44) MAPTALDH1A1PPARDPPARANPC1
SCHEMBL5048929 0.85 MAPT (0.47) MAPTMEN1ALDH1A1LMNACRHBP

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
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
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R MAPT 3334/4885MEN1 2160/4885ALDH1A1 959/4885

“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.