SCHEMBL2619953

SCHEMBL2619953

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)C[C@@H](F)C[C@H]2CS1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
DRD2 P14416 1/20 0.35
GNRHR P30968 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 4/20 0.34
KCNH2 Q12809 2/20 0.33
MAPT P10636 5/20 0.33
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL2619945 1.00 SIRT2 (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL13009646 0.93 DRD2 (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2620064 0.93 DRD2 (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2622819 0.92 SIRT2 (0.36) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2622815 0.92 SIRT2 (0.36) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL8031672 0.90 GNRHR (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2619845 0.90 GNRHR (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2619849 0.90 GNRHR (0.35) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2619925 0.89 ALDH1A1 (0.36) SIRT2DRD2GNRHRALDH1A1GAA
SCHEMBL2619932 0.89 ALDH1A1 (0.36) SIRT2DRD2GNRHRALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO 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 (4 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT2 2784/4885DRD2 289/4885GNRHR 3421/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT2 2784/4885DRD2 289/4885GNRHR 3421/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT2 2784/4885DRD2 289/4885GNRHR 3421/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 SIRT2 1835/4885DRD2 485/4885GNRHR 3734/4885

“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.