SCHEMBL3598798

SCHEMBL3598798

N=C(N)Nc1nc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL11255053 0.97 MAPT (0.53) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11239265 0.87 MAPT (0.57) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3612694 0.85 MAPT (0.67) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11248461 0.83 MAPT (0.55) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11246181 0.82 MAPT (0.53) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3606550 0.81 MAPT (0.52) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3608636 0.81 MAPT (0.51) MAPTNPC1RAB9AGAANPSR1
Bromide SCHEMBL11253435 0.81 MAPT (0.51) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3609002 0.80 CFTR (0.60) MAPTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL3603750 0.80 MAPT (0.55) MAPTNPC1RAB9AGAANPSR1

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
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US 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
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 MAPT 2/4885NPC1 267/4885RAB9A 1024/4885

“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.