SCHEMBL3201526

SCHEMBL3201526

CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 1.00
ADORA1 P30542 8/20 1.00
ADORA2B P29275 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.49
BRD4 O60885 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CYP2C19 P33261 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
SCHEMBL4295357 0.87 ADORA2A (0.85) ADORA2AADORA1ADORA2BSMN1; SMN2BRD4
SCHEMBL3192437 0.86 ADORA2A (0.88) ADORA2AADORA1ADORA2BSMN1; SMN2BRD4
SCHEMBL3194750 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BSMN1; SMN2MAPT
SCHEMBL4291882 0.83 ADORA2A (0.78) ADORA2AADORA1ADORA2BSMN1; SMN2BRD4
SCHEMBL4968450 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BSMN1; SMN2BRD4
SCHEMBL4290840 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BSMN1; SMN2BRD4
SCHEMBL18969623 0.81 ADORA2A (0.67) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3194666 0.80 ADORA2A (0.75) ADORA2AADORA1ADORA2BSMN1; SMN2NPC1
SCHEMBL4288709 0.79 ADORA2A (0.78) ADORA2AADORA1ADORA2BCYP2C19
SCHEMBL3189489 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2BSMN1; SMN2MAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877391-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. Lundbeck A/S (DK) 2008-01-16 EP 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
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-11-23 US claimed
WO-2006114093-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-11-02 WO 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-7674912-B2 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2010-03-09 US disclosed
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
EP-1877391-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. Lundbeck A/S (DK) 2008-01-16 EP 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
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
WO-2006114093-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-11-02 WO 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 (3 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
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 2/4885

“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.