SCHEMBL3608400

SCHEMBL3608400

N=C(N)Nc1nc(-c2ccc(O)c(O)c2O)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 11/20 0.46
AMY1A P0DUB6 3/20 0.45
ATP4A P20648 1/20 0.42
ATP4B P51164 1/20 0.42
GSTO1 P78417 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
VCP P55072 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL3602981 0.82 TYR (0.54) TYRAMY1AMEN1POLBMAPT
SCHEMBL3609963 0.81 GSTO1 (0.61) TYRAMY1AATP4AATP4BGSTO1
SCHEMBL3597550 0.77 RRM1 (0.64) ATP4AATP4BMEN1POLBMAPT
SCHEMBL3607242 0.76 AMY1A (0.64) AMY1AMEN1POLBMAPTKMT2A
SCHEMBL3612827 0.75 ATP4A (0.47) TYRATP4AATP4BGSTO1MEN1
SCHEMBL30660073 0.75 GSTO1 (0.64) ATP4AATP4BGSTO1MEN1KMT2A
SCHEMBL3608371 0.75 GSTO1 (0.64) ATP4AATP4BGSTO1MEN1KMT2A
SCHEMBL11239260 0.75 ATP4A (0.47) ATP4AATP4BGSTO1MEN1MAPT
SCHEMBL3602268 0.75 MAPT (0.56) TYRATP4AATP4BMEN1POLB
SCHEMBL3594785 0.75 MAPT (0.65) TYRAMY1AATP4AATP4BMEN1

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
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 TYR 3166/4885AMY1A 633/4885ATP4A 996/4885

“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.