SCHEMBL4077694

SCHEMBL4077694

CC1(C)CSC(N)=N[C@]1(C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.47
BACE2 Q9Y5Z0 7/20 0.47
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4077560 0.89 BACE1 (0.53) BACE1BACE2ALDH1A1HIF1ACYP3A4
SCHEMBL4078991 0.88 BACE1 (0.54) BACE1BACE2ALDH1A1HIF1ALMNA
SCHEMBL4074340 0.78 BACE1 (0.58) BACE1BACE2
SCHEMBL10295552 0.76 BACE1 (0.48) BACE1BACE2ALDH1A1HIF1A
SCHEMBL4083233 0.76 WDR5 (0.43) LMNAMAPT
SCHEMBL4078671 0.75 ALDH1A1 (0.38) BACE1BACE2ALDH1A1MAPTHTT
SCHEMBL6527613 0.74 BACE1 (0.49) BACE1BACE2
SCHEMBL6527615 0.74 BACE1 (0.49) BACE1BACE2
SCHEMBL17169022 0.74 BACE1 (0.57) BACE1BACE2ALDH1A1HIF1ACYP3A4
SCHEMBL14482044 0.73 BACE1 (0.55) BACE1BACE2ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885BACE2 14/4885ALDH1A1 1525/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885BACE2 14/4885ALDH1A1 1383/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885BACE2 14/4885ALDH1A1 1525/4885

“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.