SCHEMBL4290960

SCHEMBL4290960

CCCOc1cc(NC(=O)CC2CCCC2)ccc1C(=O)Nc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
ADORA2A P29274 7/20 0.56
ADORA1 P30542 1/20 0.56
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.47
CYP2C9 P11712 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
KCNMA1 Q12791 1/20 0.42

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
SCHEMBL4293147 0.93 ADORA2A (0.58) EPHX2ADORA2AADORA1ALOX15MAPK1
SCHEMBL4290165 0.86 ADORA2A (0.64) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4290003 0.83 ADORA2A (0.62) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4299463 0.83 ADORA2A (0.80) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4288738 0.79 ADORA2A (0.61) ADORA2AADORA1ALOX15MAPK1CYP2C19
SCHEMBL4286580 0.78 EPHX2 (0.73) EPHX2ADORA2ACYP2C19CYP2C9POLB
SCHEMBL4286358 0.77 EPHX2 (0.71) EPHX2ADORA2ACYP2C19CYP2C9POLB
SCHEMBL4291950 0.77 EPHX2 (0.71) EPHX2ADORA2ACYP2C19CYP2C9POLB
SCHEMBL4288720 0.77 MAPK1 (0.58) ADORA2AADORA1ALOX15MAPK1POLB
SCHEMBL4293175 0.76 ADORA2A (0.83) ADORA2AADORA1ALOX15MAPK1CYP2C19

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 EPHX2 898/4885ADORA2A 1/4885ADORA1 3/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 EPHX2 898/4885ADORA2A 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.