SCHEMBL1827381

SCHEMBL1827381

N=C(N)SC/C=C1\CCSc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
IDO1 P14902 5/20 0.35
NOS1 P29475 5/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CYP1A2 P05177 1/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
SLC11A2 P49281 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
SCHEMBL1993859 1.00 HPGD (0.40) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL7940644 0.73 NOTUM (0.38) IDO1NOS1NOS3NOS2CYP1A2
SCHEMBL6760205 0.71 HPGD (0.49) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL8780387 0.71 HPGD (0.49) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL6760203 0.71 HPGD (0.49) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL15606143 0.69 CYP19A1 (0.45) NOS1NOS2
SCHEMBL7943981 0.67 BACE1 (0.36) ALDH1A1IDO1NOS1NOS3NOS2
SCHEMBL7118738 0.62 MAPT (0.43) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL13618175 0.62 HPGD (0.53) HPGDNPSR1MAPTALDH1A1PLA2G1B
SCHEMBL7938886 0.62 ESR1 (0.37) ALDH1A1IDO1

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 11 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
US-20110152253-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-06-23 US disclosed
EP-2318416-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2011-05-11 EP disclosed
WO-2010013794-A1 SPIROAMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-04 WO 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 HPGD 927/4885NPSR1 1591/4885MAPT 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.