SCHEMBL2620033

SCHEMBL2620033

CO[C@H]1CC[C@H]2CSC(NC(=O)OC(C)(C)C)=N[C@@]2(c2cc([N+](=O)[O-])ccc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
GNRHR P30968 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
BACE1 P56817 5/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
WDR5 P61964 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2620042 1.00 DRD2 (0.36) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL8031672 0.96 GNRHR (0.35) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL2619849 0.96 GNRHR (0.35) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL2619845 0.96 GNRHR (0.35) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL2620050 0.92 BACE1 (0.34) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL13009632 0.92 BACE1 (0.34) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL8028655 0.92 BACE1 (0.34) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL2620055 0.92 BACE1 (0.34) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL8039168 0.92 BACE1 (0.34) DRD2GNRHRSIRT2ALDH1A1L3MBTL1
SCHEMBL2619925 0.90 ALDH1A1 (0.36) DRD2GNRHRSIRT2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 DRD2 289/4885GNRHR 3421/4885SIRT2 2784/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 DRD2 485/4885GNRHR 3734/4885SIRT2 1835/4885

“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.