SCHEMBL10155729

SCHEMBL10155729

CC1(c2cccc(OCC(=O)Nc3ccc(-n4ccnc4)cc3)c2)CCSC(N)=N1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PORCN Q9H237 1/20 0.51
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 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
SCHEMBL10155259 0.86 BACE1 (0.85) BACE1
SCHEMBL10156175 0.86 BACE1 (0.85) BACE1
SCHEMBL10154946 0.86 BACE1 (0.84) BACE1
SCHEMBL10155353 0.85 BACE1 (0.76) BACE1CYP3A4CYP2D6MAPTALDH1A1
SCHEMBL10157730 0.85 BACE1 (1.00) BACE1
SCHEMBL10155020 0.85 BACE1 (1.00) BACE1
SCHEMBL10154709 0.85 BACE1 (0.83) BACE1
SCHEMBL10154706 0.85 BACE1 (0.75) BACE1MAPTALDH1A1
SCHEMBL15035247 0.85 BACE1 (0.77) BACE1
SCHEMBL10154770 0.84 BACE1 (0.77) 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 28 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
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US 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 1/4885CYP3A4 225/4885CYP2D6 310/4885
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 14/4885CYP3A4 448/4885CYP2D6 379/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 BACE1 17/4885CYP3A4 410/4885CYP2D6 387/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885CYP3A4 225/4885CYP2D6 310/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885CYP3A4 225/4885CYP2D6 310/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885CYP3A4 225/4885CYP2D6 310/4885

“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.