SCHEMBL4286632

SCHEMBL4286632

COc1cccc(CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.62
ADORA1 P30542 4/20 0.62
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 3/20 0.50
ROCK1 Q13464 2/20 0.50
MAPK8 P45983 1/20 0.50
PRKACA P17612 1/20 0.48
HPGDS O60760 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4290911 0.82 RAB9A (0.77) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4286432 0.81 ADORA2A (0.72) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4297523 0.81 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4290225 0.80 ADORA2A (0.68) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL30099022 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4294452 0.78 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4293148 0.78 ADORA2A (0.74) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL3189489 0.77 ADORA2A (1.00) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4289795 0.77 ADORA2A (0.73) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4290205 0.76 RAB9A (0.70) ADORA2ARAB9ANPC1SMN1; SMN2HPGD

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 ADORA2A 1/4885ADORA1 3/4885RAB9A 2380/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885RAB9A 2380/4885

“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.