SCHEMBL4288940

SCHEMBL4288940

COc1cc(NC(=O)CC(C)(C)C)c(Cl)cc1C(=O)Nc1nccs1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.74
ADORA2A P29274 11/20 0.69
ADORA1 P30542 8/20 0.69
KCNMA1 Q12791 1/20 0.58
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
ADORA2B P29275 1/20 0.53
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
BRD4 O60885 1/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4295789 0.86 AGER (0.74) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL16607160 0.85 AGER (1.00) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL4296521 0.83 AGER (0.69) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL4287838 0.82 ADORA2A (1.00) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL3188105 0.80 AGER (0.74) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL3201317 0.80 ADORA2A (1.00) ADORA2AADORA1RAB9ANPC1ADORA2B
SCHEMBL3201177 0.79 ADORA2A (1.00) ADORA2AADORA1RAB9ANPC1ADORA2B
SCHEMBL3196819 0.79 AGER (0.73) AGERKCNMA1RAB9ANPC1MAPT
SCHEMBL4288699 0.79 AGER (0.72) AGERADORA2AADORA1KCNMA1RAB9A
SCHEMBL27643438 0.77 ADORA2A (1.00) ADORA2AADORA1KCNMA1ADORA2BMAPT

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
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 AGER 824/4885ADORA2A 1/4885ADORA1 3/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 AGER 824/4885ADORA2A 1/4885ADORA1 3/4885

“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.