SCHEMBL4286535

SCHEMBL4286535

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.76
CYP2C19 P33261 2/20 0.64
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.61
AGER Q15109 1/20 0.60
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 1/20 0.53
ADORA1 P30542 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL4286255 0.88 ADORA2A (0.80) ADORA2ACYP2C19CYP2D6CYP2C9AGER
SCHEMBL4290155 0.86 ADORA2A (1.00) ADORA2ACYP2C19CYP2D6CYP2C9AGER
SCHEMBL4290446 0.85 ADORA2A (0.74) ADORA2ACYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL3194666 0.84 ADORA2A (0.75) ADORA2ACYP2C19CYP2C9AGERNPC1
SCHEMBL4285924 0.84 ADORA2A (0.75) ADORA2ACYP2D6NPC1RAB9ASMN1; SMN2
SCHEMBL4288738 0.80 ADORA2A (0.61) ADORA2ACYP2C19CYP2D6CYP2C9NPC1
SCHEMBL5494045 0.80 ADORA2A (0.77) ADORA2ACYP2C19CYP2C9AGERNPC1
SCHEMBL4293906 0.78 ADORA2A (1.00) ADORA2ACYP2C19CYP2C9AGERNPC1
SCHEMBL8298569 0.78 AGER (0.73) ADORA2ACYP2C19CYP2C9AGERNPC1
SCHEMBL5493836 0.76 AGER (0.64) ADORA2ACYP2C19CYP2C9AGERNPC1

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 12 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
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
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
EP-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP 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 1/4885CYP2C19 1411/4885CYP2D6 1537/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885CYP2C19 1411/4885CYP2D6 1537/4885

“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.