SCHEMBL3604804

SCHEMBL3604804

N=C(N)Nc1nc(-c2ccccc2Oc2ccc(C3CCCCC3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.48
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
VCP P55072 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.38
MRE11 P49959 1/20 0.38
TYR P14679 1/20 0.37
TRPA1 O75762 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
CASP1 P29466 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AMY1A P0DUB6 1/20 0.36

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
SCHEMBL2380032 0.84 ATP4A (0.50) PLAUATP4AATP4BVCPKDM4E
SCHEMBL3607363 0.80 MRE11 (0.50) PLAULMNAKDM4EMAPTMAPK1
SCHEMBL3600274 0.75 VCP (0.64) ATP4AATP4BVCPKDM4EMAPT
SCHEMBL3612827 0.72 ATP4A (0.47) PLAUATP4AATP4BVCPLMNA
SCHEMBL3605029 0.71 ATP4A (0.45) PLAUATP4AATP4BVCPKDM4E
SCHEMBL2380037 0.70 RAB9A (0.61) PLAUATP4AATP4BLMNAKDM4E
SCHEMBL3607326 0.70 MAPT (0.47) PLAUATP4AATP4BVCPMAPT
SCHEMBL3608066 0.70 MCHR1 (0.46) PLAUATP4AATP4BLMNAKDM4E
SCHEMBL11239260 0.70 ATP4A (0.47) PLAUATP4AATP4BVCPLMNA
SCHEMBL30660073 0.70 GSTO1 (0.64) ATP4AATP4BLMNAALDH1A1RAB9A

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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US 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 PLAU 4084/4885ATP4A 996/4885ATP4B 1107/4885

“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.