SCHEMBL5493836

SCHEMBL5493836

CC(C)(C)COC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.64
ADORA2A P29274 10/20 0.63
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP3A4 P08684 1/20 0.56
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.53
SCD O00767 1/20 0.52

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
SCHEMBL4286447 0.95 RAB9A (0.65) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL4286543 0.84 AGER (0.68) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL8298569 0.83 AGER (0.73) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL3194666 0.82 ADORA2A (0.75) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL16603980 0.79 AGER (1.00) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL5494045 0.78 ADORA2A (0.77) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL4296490 0.78 AGER (0.70) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL4286191 0.78 ADORA2A (1.00) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL4287847 0.77 AGER (0.76) AGERADORA2ACYP2C19CYP2C9RAB9A
SCHEMBL16378731 0.77 RAB9A (0.73) AGERADORA2ACYP2C19RAB9ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP claimed
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP claimed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN claimed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP claimed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US claimed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 WO claimed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN 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-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 AGER 824/4885ADORA2A 1/4885CYP2C19 1411/4885

“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.