SCHEMBL2932929

SCHEMBL2932929

O=C(O)N(C(=O)O)C1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)CCC[C@H]2CS1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.43
BACE2 Q9Y5Z0 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.32
AKR1B1 P15121 2/20 0.32
HIF1A Q16665 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2932927 1.00 BACE1 (0.43) BACE1BACE2L3MBTL1ALDH1A1AKR1B1
SCHEMBL2932931 1.00 BACE1 (0.43) BACE1BACE2L3MBTL1ALDH1A1AKR1B1
SCHEMBL2108686 0.88 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL2118756 0.88 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL2118750 0.88 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL2109485 0.87 BACE2 (0.40) BACE1BACE2L3MBTL1ALDH1A1
SCHEMBL2117899 0.86 BACE2 (0.39) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2117897 0.86 BACE2 (0.39) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2108786 0.86 BACE2 (0.39) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2109652 0.85 BACE2 (0.38) BACE1BACE2L3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-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-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP 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 (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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885L3MBTL1 242/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885L3MBTL1 242/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885L3MBTL1 571/4885

“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.