SCHEMBL4290225

SCHEMBL4290225

Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.68
ADORA1 P30542 4/20 0.68
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
SCD O00767 1/20 0.52
CYP2C19 P33261 2/20 0.52
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
PKM P14618 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP3A4 P08684 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4294452 0.94 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4290664 0.87 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4293148 0.86 ADORA2A (0.74) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL28761347 0.85 ADORA2A (0.58) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4295334 0.83 ADORA2A (0.70) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4288985 0.83 NPC1 (0.64) ADORA2AADORA1RAB9ANPC1KMT2A
SCHEMBL3189489 0.81 ADORA2A (1.00) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4289795 0.81 ADORA2A (0.73) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL1458948 0.81 PKM (0.67) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4297523 0.80 ADORA2A (0.69) ADORA2AADORA1RAB9ANPC1MEN1

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 13 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
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN 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
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN 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.