SCHEMBL10155489

SCHEMBL10155489

CC1(c2cccc(C(=O)Nc3ccccc3N3CCOCC3)c2)CCSC(N)=N1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.58
POLB P06746 2/20 0.58
SCN9A Q15858 2/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 3/20 0.54
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.52
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL10157647 0.90 CYP2D6 (0.55) BACE1POLBSCN9AALDH1A1SMN1; SMN2
SCHEMBL10155127 0.87 BACE1 (0.59) BACE1SMN1; SMN2
SCHEMBL10154792 0.82 BACE1 (0.64) BACE1
SCHEMBL10227628 0.81 BACE1 (0.70) BACE1
SCHEMBL10156340 0.81 BACE1 (0.62) BACE1
SCHEMBL10157543 0.80 BACE1 (0.61) BACE1
SCHEMBL10155221 0.79 BACE1 (0.60) BACE1
SCHEMBL10156094 0.78 BACE1 (0.63) BACE1NPC1KMT2AL3MBTL1
SCHEMBL10156365 0.78 BACE1 (0.61) BACE1
SCHEMBL10154814 0.77 BACE1 (0.76) BACE1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 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-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
EP-1942105-B1 AMINODIHYDROTHIAZINE DERIVATIVE SHIONOGI & CO (JP) 2014-04-16 EP disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-8173642-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2012-05-08 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 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-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885POLB 815/4885SCN9A 2149/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 14/4885POLB 1260/4885SCN9A 1222/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 17/4885POLB 1185/4885SCN9A 1303/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885POLB 815/4885SCN9A 2149/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885POLB 815/4885SCN9A 2149/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885POLB 815/4885SCN9A 2149/4885

“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.