SCHEMBL4297591

SCHEMBL4297591

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.69
ADORA2A P29274 3/20 0.66
ADORA1 P30542 1/20 0.66
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
AGER Q15109 1/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 2/20 0.61
KCNMA1 Q12791 1/20 0.60
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL4290662 0.88 ADORA2A (0.69) GRM4ADORA2AADORA1NPC1RAB9A
SCHEMBL27702357 0.83 NPC1 (0.72) NPC1RAB9APOLBMAPTKCNMA1
SCHEMBL4299253 0.82 ADORA2A (0.67) ADORA2AADORA1NPC1RAB9AAGER
SCHEMBL4286244 0.82 RAB9A (0.72) ADORA2AADORA1NPC1RAB9AAGER
SCHEMBL419203 0.82 MAPK1 (0.76) NPC1RAB9APOLBMAPTKCNMA1
SCHEMBL4290956 0.82 ADORA2A (0.72) GRM4ADORA2ANPC1RAB9AMAPT
SCHEMBL3191373 0.82 ADORA2A (0.69) ADORA2AADORA1NPC1RAB9AAGER
Bromide SCHEMBL27891481 0.82 NPC1 (0.70) NPC1RAB9APOLBMAPTKCNMA1
Bromide SCHEMBL27908055 0.81 MAPK1 (0.74) NPC1RAB9APOLBMAPTKCNMA1
SCHEMBL4286353 0.81 ADORA2A (0.73) ADORA2ANPC1RAB9AAGERPOLB

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 GRM4 153/4885ADORA2A 1/4885ADORA1 3/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 GRM4 153/4885ADORA2A 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.