SCHEMBL4293597

SCHEMBL4293597

COc1cc(NC(=O)C2CCCCC2)ccc1C(=O)Nc1nccs1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.63
ADORA1 P30542 1/20 0.63
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
GRM4 Q14833 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 3/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNMA1 Q12791 1/20 0.53
AGER Q15109 1/20 0.49
BRD4 O60885 1/20 0.48
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
SCHEMBL4285916 0.99 ADORA2A (0.64) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL3196819 0.81 AGER (0.73) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL3191373 0.80 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4297591 0.80 GRM4 (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4242042 0.80 GRM4 (0.61) RAB9APOLBMAPTGRM4SMN1; SMN2
SCHEMBL4290662 0.78 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4299253 0.78 ADORA2A (0.67) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4286244 0.78 RAB9A (0.72) ADORA2AADORA1RAB9ANPC1POLB
SCHEMBL4293208 0.78 SMN1; SMN2 (0.65) ADORA2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4242005 0.78 GRM4 (0.59) RAB9APOLBMAPTGRM4SMN1; SMN2

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.