SCHEMBL4927692

SCHEMBL4927692

NC1C(=O)NCCSC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.43
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SLC6A3 Q01959 4/20 0.36
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN7 P35236 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33

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
SCHEMBL6239170 1.00 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL6239173 1.00 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL14260861 1.00 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL14260844 0.80 MAP2K1 (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL2328287 0.77 CA2 (0.46) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL5644665 0.76 MTNR1A (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
Bromide SCHEMBL6207122 0.75 MTNR1A (0.43) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL6253940 0.74 MAP2K1 (0.47) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL5265939 0.69 MAP2K1 (0.40) MAP2K1HSD17B10TDP1ALDH1A1HTT
SCHEMBL14395106 0.68 MAP2K1 (0.66) MAP2K1HSD17B10TDP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 (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-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 MAP2K1 4550/4885HSD17B10 1589/4885TDP1 1730/4885

“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.