SCHEMBL3343328

SCHEMBL3343328

O=C(O)C(O)C(Oc1ccc(F)cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KCNMA1 Q12791 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PDK1 Q15118 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3348742 0.88 HSPB1 (0.40) HSPB1L3MBTL1KCNMA1ALDH1A1HTT
SCHEMBL3348734 0.88 HSPB1 (0.40) HSPB1L3MBTL1KCNMA1ALDH1A1HTT
SCHEMBL14260875 0.88 MAPT (0.43) L3MBTL1ALDH1A1HTTMAPT
SCHEMBL8340434 0.88 MAPT (0.43) L3MBTL1ALDH1A1HTTMAPT
SCHEMBL27771907 0.80 MAPT (0.43) L3MBTL1ALDH1A1HTTMAPT
SCHEMBL8340048 0.80 MAPT (0.43) L3MBTL1ALDH1A1HTTMAPT
SCHEMBL14260873 0.80 MAPT (0.43) L3MBTL1ALDH1A1HTTMAPT
SCHEMBL14260874 0.79 MAPT (0.42) L3MBTL1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL14367241 0.79 MAPT (0.42) L3MBTL1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL6210271 0.76 LMNA (0.48) L3MBTL1KCNMA1ALDH1A1HTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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 (4 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B HSPB1 741/4885L3MBTL1 4126/4885PPARG 3654/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 HSPB1 227/4885L3MBTL1 4806/4885PPARG 292/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP HSPB1 1066/4885L3MBTL1 4401/4885PPARG 3478/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSPB1 4704/4885L3MBTL1 3933/4885PPARG 1147/4885

“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.