SCHEMBL10157071

SCHEMBL10157071

CC1(c2ccc(F)c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)CCSC(N)=N1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.61
RORC P51449 5/20 0.54
BACE2 Q9Y5Z0 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10156772 0.94 BACE1 (0.61) BACE1RORCBACE2KMT2AMEN1
SCHEMBL13307787 0.92 BACE1 (0.62) BACE1BACE2
SCHEMBL10155951 0.88 BACE1 (0.63) BACE1BACE2
SCHEMBL10154839 0.87 BACE1 (0.64) BACE1BACE2
SCHEMBL10155061 0.87 BACE1 (0.66) BACE1BACE2
SCHEMBL10177043 0.86 BACE1 (0.60) BACE1BACE2
SCHEMBL13307619 0.86 BACE1 (0.61) BACE1BACE2
SCHEMBL10155291 0.86 BACE1 (0.73) BACE1BACE2
SCHEMBL10155101 0.85 BACE1 (0.65) BACE1BACE2
SCHEMBL10155302 0.85 BACE1 (0.62) BACE1BACE2

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 10 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-9029358-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2015-05-12 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-20130303755-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2013-11-14 US disclosed
US-8546380-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2013-10-01 US disclosed
US-20130158260-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2013-06-20 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-20120016116-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-19 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 1/4885RORC 613/4885BACE2 2/4885
US-20130158260-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885RORC 1765/4885BACE2 2/4885
US-20130303755-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885RORC 613/4885BACE2 2/4885
US-20120022249-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885RORC 613/4885BACE2 2/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885RORC 613/4885BACE2 2/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP BACE1 1/4885RORC 613/4885BACE2 2/4885

“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.