SCHEMBL4287864

SCHEMBL4287864

CN(C(=O)CC(C)(C)C)c1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.63
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ADORA1 P30542 5/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GBA1 P04062 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPK10 P53779 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AGER Q15109 1/20 0.54
ADORA2B P29275 1/20 0.54

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
SCHEMBL3194666 0.80 ADORA2A (0.75) ADORA2ARAB9ANPC1SMN1; SMN2ADORA1
SCHEMBL6328266 0.79 NPC1 (0.64) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4286191 0.78 ADORA2A (1.00) ADORA2ARAB9ANPC1SMN1; SMN2ADORA1
SCHEMBL16378731 0.77 RAB9A (0.73) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4287863 0.77 ADORA2A (0.63) ADORA2ARAB9ANPC1SMN1; SMN2ADORA1
SCHEMBL6328478 0.74 RAB9A (0.61) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3223685 0.74 RAB9A (1.00) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5501384 0.74 ADORA2A (0.90) ADORA2ARAB9ANPC1SMN1; SMN2ADORA1
SCHEMBL404981 0.74 RAB9A (0.75) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13988355 0.73 RAB9A (0.63) ADORA2ARAB9ANPC1SMN1; SMN2ADORA1

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 1/4885RAB9A 2380/4885NPC1 1022/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885RAB9A 2380/4885NPC1 1022/4885

“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.