SCHEMBL4285916

SCHEMBL4285916

COc1cc(NC(=O)C2CCCC2)ccc1C(=O)Nc1nccs1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.64
ADORA1 P30542 1/20 0.64
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
KCNMA1 Q12791 1/20 0.53
GRM4 Q14833 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 3/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AGER Q15109 1/20 0.50
BRD4 O60885 1/20 0.49
ALOX15 P16050 1/20 0.47

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
SCHEMBL4293597 0.99 ADORA2A (0.63) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL3196819 0.82 AGER (0.73) RAB9ANPC1POLBMAPTKCNMA1
SCHEMBL3191373 0.81 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4297591 0.80 GRM4 (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4286244 0.79 RAB9A (0.72) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4299253 0.79 ADORA2A (0.67) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4290662 0.79 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4293208 0.79 SMN1; SMN2 (0.65) ADORA2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4242005 0.79 GRM4 (0.59) RAB9APOLBMAPTGRM4SMN1; SMN2
SCHEMBL4290324 0.78 ADORA2A (0.74) ADORA2AADORA1RAB9ANPC1POLB

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 3/4885RAB9A 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.