Sugi Predict

Sugi Predict / Compounds / SCHEMBL1992797

SCHEMBL1992797

SCHEMBL1992797

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.38
▸ BACE2 Q9Y5Z0 4/20 0.38
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CTSD P07339 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ CRHBP P24387 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
SCHEMBL7938145 0.82 GAA (0.40) BACE1BACE2MEN1KMT2AMAPT
SCHEMBL15157931 0.81 RAB9A (0.39) BACE1BACE2MEN1KMT2AMAPT
SCHEMBL15157934 0.81 RAB9A (0.39) BACE1BACE2MEN1KMT2AMAPT
SCHEMBL7940159 0.80 BACE1 (0.34) BACE1BACE2MAPTRAB9ANPC1
SCHEMBL12565340 0.80 BACE1 (0.48) BACE1BACE2MAPTCTSDAKR1B1
SCHEMBL1992787 0.80 BACE1 (0.48) BACE1
SCHEMBL1991655 0.77 AKR1B1 (0.35) BACE1BACE2MEN1KMT2AMAPT
SCHEMBL1996400 0.76 BACE1 (0.42) BACE1CTSD
SCHEMBL7943032 0.76 SIRT2 (0.38) BACE1BACE2MEN1KMT2AMAPT
SCHEMBL1996985 0.75 BACE1 (0.56) BACE1MAPTRAB9ANPC1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318416-B1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 — — EP disclosed
EP-2318416-B1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2013-09-04 — — EP disclosed
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-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
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 BACE1 1/4885BACE2 2/4885MEN1 2676/4885

“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.