SCHEMBL5048600

SCHEMBL5048600

COc1ccc(OCc2nc(-c3cc(C(=O)NCC(C)C)c(C)n3Cc3cccs3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 2/20 0.39
HSP90AA1 P07900 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 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 0.90 KLKB1 (0.44) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5048552 0.89 MAPT (0.49) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5040255 0.89 MAPT (0.49) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5048595 0.88 ALDH1A1 (0.49) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5043773 0.88 L3MBTL1 (0.45) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5039266 0.87 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5044942 0.85 HPGD (0.48) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5045076 0.82 MAPT (0.40) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5043924 0.82 CDC25A (0.46) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5047028 0.78 MAPT (0.43) NPC1RAB9AMAPTALDH1A1L3MBTL1

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 NPC1 500/4885RAB9A 1009/4885MAPT 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.