SCHEMBL4290165

SCHEMBL4290165

CCCOc1cc(NC(=O)CCC)ccc1C(=O)Nc1nccs1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.64
CYP2C19 P33261 1/20 0.64
ADORA1 P30542 1/20 0.63
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 3/20 0.49
USP2 O75604 1/20 0.48
ADRB2 P07550 1/20 0.48

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
SCHEMBL4299463 0.89 ADORA2A (0.80) ADORA2ACYP2C19ADORA1CYP2C9MAPK1
SCHEMBL4290003 0.89 ADORA2A (0.62) ADORA2ACYP2C19ADORA1CYP2C9MAPK1
SCHEMBL4290960 0.86 EPHX2 (0.57) ADORA2ACYP2C19ADORA1CYP2C9MAPK1
SCHEMBL4288738 0.84 ADORA2A (0.61) ADORA2ACYP2C19ADORA1CYP2C9MAPK1
SCHEMBL4288720 0.83 MAPK1 (0.58) ADORA2AADORA1MAPK1ALOX15NPC1
SCHEMBL4288727 0.81 ADORA2A (0.62) ADORA2ACYP2C19ADORA1MAPK1ALOX15
SCHEMBL4293175 0.81 ADORA2A (0.83) ADORA2ACYP2C19ADORA1MAPK1ALOX15
SCHEMBL17274993 0.80 MAPK1 (0.81) MAPK1ALOX15NPC1RAB9ALMNA
SCHEMBL4286409 0.79 MAPT (0.57) ADORA2AADORA1MAPK1ALOX15MEN1
SCHEMBL4293906 0.79 ADORA2A (1.00) ADORA2ACYP2C19CYP2C9MEN1KMT2A

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 ADORA2A 1/4885CYP2C19 1411/4885ADORA1 3/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885CYP2C19 1411/4885ADORA1 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.