SCHEMBL4288709

SCHEMBL4288709

CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.78
ADORA1 P30542 8/20 0.74
ADORA2B P29275 1/20 0.65
CYP2C19 P33261 1/20 0.49
CYP2C9 P11712 1/20 0.47
KCNMA1 Q12791 1/20 0.46

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
SCHEMBL4292883 0.88 ADORA2A (1.00) ADORA2AADORA1ADORA2BCYP2C19CYP2C9
SCHEMBL27643438 0.87 ADORA2A (1.00) ADORA2AADORA1ADORA2BCYP2C19KCNMA1
SCHEMBL4287838 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BKCNMA1
SCHEMBL4285959 0.83 ADORA2A (0.73) ADORA2AADORA1ADORA2BCYP2C19
SCHEMBL4299463 0.83 ADORA2A (0.80) ADORA2AADORA1ADORA2BCYP2C19CYP2C9
SCHEMBL4293175 0.83 ADORA2A (0.83) ADORA2AADORA1ADORA2BCYP2C19KCNMA1
SCHEMBL3194666 0.82 ADORA2A (0.75) ADORA2AADORA1ADORA2BCYP2C19CYP2C9
SCHEMBL4961637 0.81 ADORA2A (0.79) ADORA2AADORA1ADORA2B
SCHEMBL12121115 0.80 NPC1 (0.62) ADORA2ACYP2C19CYP2C9KCNMA1
SCHEMBL3201526 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BCYP2C19

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
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US claimed
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
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US claimed
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
EP-1803455-A1 N-thiazol-2-yl-benzamide derivatives H.Lundbeck A/S (DK) 2007-07-04 EP disclosed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP disclosed
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 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 (2 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-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 5/4885

“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.