SCHEMBL1991655

SCHEMBL1991655

CC(C)(C)N(C(=O)O)C1=NC2(CCOc3ccc([N+](=O)[O-])cc32)CCS1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.35
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
MAPT P10636 5/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HNF4A P41235 1/20 0.31
HTT P42858 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BAZ1A Q9NRL2 1/20 0.31
GAA P10253 1/20 0.30
RARA P10276 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
SCHEMBL1989736 0.85 BACE1 (0.34) BACE1BACE2
SCHEMBL15157934 0.78 RAB9A (0.39) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL15157931 0.78 RAB9A (0.39) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL7938145 0.77 GAA (0.40) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL1992797 0.77 BACE1 (0.38) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL7943032 0.77 SIRT2 (0.38) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL1994577 0.74 BACE1 (0.58) BACE1BACE2
SCHEMBL1989580 0.74 BACE1 (0.58) BACE1BACE2
SCHEMBL17907552 0.70 BACE1 (0.43) AKR1B1BACE1BACE2MAPTRAB9A
SCHEMBL7938915 0.69 BACE1 (0.35) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 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 (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-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP AKR1B1 586/4885BACE1 1/4885BACE2 2/4885

“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.