SCHEMBL3755349

SCHEMBL3755349

[CH2]c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
SLC6A4 P31645 4/20 0.45
HTR1A P08908 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PNLIP P16233 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL95189 0.84 LTA4H (0.52) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL6290676 0.84 ALDH1A1 (0.61) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL9340499 0.83 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL5536030 0.83 CYP1A2 (0.40) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL27279963 0.82 LTA4H (0.50) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL6289924 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL6293775 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL6293841 0.81 L3MBTL1 (0.58) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL6290609 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPK1HTT
SCHEMBL4266095 0.81 HTR2A (0.51) ALDH1A1L3MBTL1LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US disclosed
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 US disclosed
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production OLSON RICHARD E (US) 2005-05-26 US disclosed
US-6503902-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 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 (6 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A ALDH1A1 1954/4885L3MBTL1 2688/4885LMNA 286/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A ALDH1A1 2275/4885L3MBTL1 2676/4885LMNA 336/4885
US-20050113363-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of A beta protein production APP, BACE1, APH1A ALDH1A1 2275/4885L3MBTL1 2676/4885LMNA 336/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 ALDH1A1 315/4885L3MBTL1 1995/4885LMNA 228/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A ALDH1A1 2275/4885L3MBTL1 2676/4885LMNA 336/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885L3MBTL1 1605/4885LMNA 461/4885

“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.