SCHEMBL1935686

SCHEMBL1935686

CC(C)(C)N(C(=O)O)C1=NC2(c3cc([N+](=O)[O-])ccc3F)COCCC2CS1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.42
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
BACE2 Q9Y5Z0 7/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 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
SCHEMBL1935687 1.00 BACE1 (0.42) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL1935689 1.00 BACE1 (0.42) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2116359 0.92 BACE1 (0.41) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2108476 0.92 BACE1 (0.41) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2116357 0.92 BACE1 (0.41) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2118756 0.87 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1GAA
SCHEMBL2108686 0.87 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1GAA
SCHEMBL2118750 0.87 BACE2 (0.41) BACE1BACE2L3MBTL1ALDH1A1GAA
SCHEMBL2117897 0.87 BACE2 (0.39) BACE1BACE2L3MBTL1ALDH1A1GAA
SCHEMBL2108786 0.87 BACE2 (0.39) BACE1BACE2L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP 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 (1 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-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885CYP2D6 814/4885KCNH2 2173/4885

“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.