SCHEMBL2933532

SCHEMBL2933532

O=C(O)NC1=N[C@@]2(c3cc([N+](=O)[O-])cc(F)c3F)CCCC[C@H]2CS1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2933530 1.00 BACE1 (0.38) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2933531 1.00 BACE1 (0.38) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2925278 0.89 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2925280 0.89 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2925285 0.89 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2926689 0.88 BACE1 (0.44) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2926687 0.88 BACE1 (0.44) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2926686 0.88 BACE1 (0.44) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2619813 0.87 BACE1 (0.34) BACE1BACE2
SCHEMBL3774088 0.86 BACE1 (0.47) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2

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.