SCHEMBL4288738

SCHEMBL4288738

CCCOc1cc(NC(=O)CC(C)CC(C)(C)C)ccc1C(=O)Nc1nccs1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.61
ADORA1 P30542 3/20 0.61
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KCNB1 Q14721 1/20 0.41
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL4290003 0.89 ADORA2A (0.62) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4299463 0.87 ADORA2A (0.80) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4290165 0.84 ADORA2A (0.64) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4288727 0.82 ADORA2A (0.62) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4286535 0.80 ADORA2A (0.76) ADORA2AADORA1CYP2C19CYP2C9CYP2D6
SCHEMBL4293175 0.80 ADORA2A (0.83) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4290960 0.79 EPHX2 (0.57) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4290324 0.78 ADORA2A (0.74) ADORA2AADORA1ALOX15MAPK1NPC1
SCHEMBL4287838 0.77 ADORA2A (1.00) ADORA2AADORA1ALOX15MAPK1NPC1
SCHEMBL4288720 0.76 MAPK1 (0.58) ADORA2AADORA1ALOX15MAPK1CYP2D6

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 1/4885ADORA1 3/4885ALOX15 1975/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ALOX15 1975/4885

“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.