SCHEMBL7938145

SCHEMBL7938145

CC(=O)NC1=NC2(CCOc3ccc([N+](=O)[O-])cc32)CCS1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 7/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
CFTR P13569 1/20 0.38
DYRK1A Q13627 1/20 0.38
BAZ1A Q9NRL2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HTT P42858 1/20 0.36
AKR1B1 P15121 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL15157934 0.91 RAB9A (0.39) GAAMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL15157931 0.91 RAB9A (0.39) GAAMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL7943032 0.87 SIRT2 (0.38) GAAMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL1992797 0.82 BACE1 (0.38) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL1993044 0.82 KIF11 (0.36) GAACYP1A2RAB9ASMN1; SMN2LMNA
SCHEMBL1991655 0.77 AKR1B1 (0.35) GAAMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL7940166 0.71 BACE1 (0.43) BACE1BACE2
SCHEMBL21750809 0.69 RARA (0.47) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL15541888 0.68 RAB9A (0.41) MAPTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL7941101 0.65 BACE1 (0.46) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-8501733-B2 Spiroaminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-06 US disclosed
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 US disclosed
WO-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 WO 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 GAA 98/4885CYP1A2 1847/4885MAPT 6/4885

“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.