SCHEMBL7943981

SCHEMBL7943981

N=C(N)SC/C=C1\CCOc2c(F)cccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.34
ALDH3A1 P30838 2/20 0.34
PARP1 P09874 1/20 0.31
IDO1 P14902 2/20 0.31
SLC11A2 P49281 1/20 0.31
CYP2D6 P10635 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL1829388 0.82 CYP19A1 (0.38) ALDH1A1PARP1
SCHEMBL7941470 0.82 CYP19A1 (0.38) ALDH1A1PARP1
SCHEMBL7940644 0.80 NOTUM (0.38) IDO1NOS3NOS1NOS2
SCHEMBL7938886 0.76 ESR1 (0.37) ALDH1A1ALDH3A1IDO1
SCHEMBL12607167 0.74 CYP19A1 (0.37) ALDH1A1PARP1
SCHEMBL15157956 0.70 CYP19A1 (0.40) ALDH1A1PARP1
SCHEMBL15157957 0.70 CYP19A1 (0.40) ALDH1A1PARP1
SCHEMBL1827381 0.67 HPGD (0.40) ALDH1A1IDO1SLC11A2NOS3NOS1
SCHEMBL1993859 0.67 HPGD (0.40) ALDH1A1IDO1SLC11A2NOS3NOS1
SCHEMBL7942826 0.66 CTDSP1 (0.47) ALDH1A1

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-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-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 1/4885ALDH1A1 709/4885ALDH3A1 780/4885

“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.