SCHEMBL4290205

SCHEMBL4290205

COc1cccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.68
HPGD P15428 2/20 0.68
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KMT2A Q03164 3/20 0.63
TP53 P04637 3/20 0.62
MAPK1 P28482 2/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 1/20 0.62
PKM P14618 1/20 0.62
AGER Q15109 1/20 0.62
ADORA2A P29274 3/20 0.60
KDM4E B2RXH2 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60

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
SCHEMBL30099022 0.93 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL22704311 0.89 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL13212195 0.85 MEN1 (0.66) SMN1; SMN2HPGDPOLBMAPTKMT2A
SCHEMBL27652020 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL28478360 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4285954 0.83 NPC1 (0.85) RAB9ANPC1SMN1; SMN2KCNK3KCNK9
SCHEMBL4286353 0.80 ADORA2A (0.73) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL2753283 0.79 RAB9A (0.92) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4286244 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2KCNK3KCNK9
SCHEMBL4755922 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDKCNK3

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 RAB9A 2380/4885NPC1 1022/4885SMN1; SMN2 1617/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 RAB9A 2380/4885NPC1 1022/4885SMN1; SMN2 1617/4885

“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.