SCHEMBL2926686

SCHEMBL2926686

O=C(O)NC1=NC2(c3cc([N+](=O)[O-])ccc3F)CCCCCC2CS1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.44
BACE2 Q9Y5Z0 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 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
SCHEMBL2926689 1.00 BACE1 (0.44) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL2926687 1.00 BACE1 (0.44) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL2925285 0.99 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL2925278 0.99 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL2925280 0.99 BACE1 (0.45) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL3774085 0.96 BACE1 (0.47) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL3774088 0.96 BACE1 (0.47) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL3774093 0.96 BACE1 (0.47) BACE1BACE2L3MBTL1ALDH1A1NPC1
SCHEMBL2933532 0.88 BACE1 (0.38) BACE1BACE2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2933531 0.88 BACE1 (0.38) 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.