SCHEMBL3565936

SCHEMBL3565936

O=C(O)c1ccc(COc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)o1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
POLB P06746 4/20 0.63
NPC1 O15118 9/20 0.61
RAB9A P51151 9/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
HSP90AA1 P07900 1/20 0.54
PLA2G4B P0C869 1/20 0.54
MAOB P27338 1/20 0.52

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
SCHEMBL1756442 0.84 POLB (0.73) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3569402 0.82 POLB (0.67) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL14310381 0.81 POLB (0.69) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3559025 0.81 SMN1; SMN2 (0.91) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3571608 0.81 POLB (0.69) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1756431 0.81 NPC1 (0.72) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6815339 0.77 POLB (0.77) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6814497 0.76 POLB (0.75) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3229701 0.76 POLB (0.75) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL6814360 0.75 NPC1 (0.76) MAPTPOLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP claimed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE AG 2004-12-30 US claimed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE AG 2004-12-30 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 (3 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-20040266856-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator GYS2, GYS1, PYGL MAPT 3129/4885POLB 1527/4885NPC1 1101/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 MAPT 3141/4885POLB 1685/4885NPC1 1670/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 MAPT 3141/4885POLB 1685/4885NPC1 1670/4885

“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.