SCHEMBL15041111

SCHEMBL15041111

CCS/C(N)=N\Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.58
NOS3 P29474 11/20 0.58
NOS1 P29475 11/20 0.58
GRIN2B Q13224 5/20 0.52
GRIN1 Q05586 4/20 0.52
HRH4 Q9H3N8 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL4646866 1.00 NOS2 (0.58) NOS2NOS3NOS1GRIN2BGRIN1
Bromide SCHEMBL11806754 0.98 NOS2 (0.59) NOS2NOS3NOS1GRIN2BGRIN1
SCHEMBL8772898 0.81 NOS2 (0.60) NOS2GRIN2BGRIN1HRH4HRH3
Iodide SCHEMBL10591785 0.79 NOS2 (0.58) NOS2NOS3NOS1GRIN2BGRIN1
SCHEMBL13533929 0.77 GRIN2B (0.50) NOS2NOS3NOS1GRIN2BGRIN1
SCHEMBL20675953 0.74 NOS2 (0.96) NOS2NOS3NOS1GRIN2BGRIN1
SCHEMBL14291059 0.74 NOS2 (0.96) NOS2NOS3NOS1GRIN2BGRIN1
Hydrochloric Acid SCHEMBL27493867 0.74 NOS2 (0.43) NOS2NOS3NOS1GRIN2BGRIN1
SCHEMBL45769 0.73 GRIN2B (0.68) NOS2GRIN2BGRIN1HRH4GRIN2D
SCHEMBL1387776 0.73 NOS1 (1.00) NOS2NOS3NOS1

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
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-20130158260-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2013-06-20 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-20130158260-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP NOS2 1938/4885NOS3 1553/4885NOS1 579/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 NOS2 1899/4885NOS3 1833/4885NOS1 1701/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP NOS2 2252/4885NOS3 2053/4885NOS1 992/4885

“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.