SCHEMBL4292645

SCHEMBL4292645

COc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.71
ADORA1 P30542 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.63
RAB9A P51151 2/20 0.63
MAPK1 P28482 2/20 0.63
EPHX2 P34913 1/20 0.61
MAPT P10636 4/20 0.55
BRD4 O60885 1/20 0.55
PDE4B Q07343 1/20 0.53
NPC1 O15118 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
STAT3 P40763 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 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
SCHEMBL4293164 0.99 ADORA2A (0.69) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4290829 0.93 ADORA2A (0.61) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4290407 0.88 ADORA2A (0.68) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4285963 0.86 EPHX2 (0.64) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4286187 0.86 ADORA2A (0.67) ADORA2AADORA1SMN1; SMN2RAB9AEPHX2
SCHEMBL3193542 0.86 ADORA2A (0.67) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL3201317 0.83 ADORA2A (1.00) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4288819 0.83 EPHX2 (0.59) ADORA2AADORA1SMN1; SMN2RAB9AEPHX2
SCHEMBL4286660 0.82 ADORA2A (0.86) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1
SCHEMBL4296521 0.82 AGER (0.69) ADORA2AADORA1SMN1; SMN2RAB9AMAPK1

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 3/4885SMN1; SMN2 1617/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885SMN1; 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.