SCHEMBL4286353

SCHEMBL4286353

COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C19 P33261 1/20 0.73
MAPK1 P28482 2/20 0.64
ALOX15 P16050 1/20 0.64
MAPT P10636 3/20 0.63
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 6/20 0.62
NPC1 O15118 4/20 0.62
AGER Q15109 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
KCNMA1 Q12791 1/20 0.58

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
SCHEMBL419203 0.91 MAPK1 (0.76) MAPK1ALOX15MAPTPOLBTDP1
Bromide SCHEMBL27908055 0.89 MAPK1 (0.74) MAPK1ALOX15MAPTPOLBTDP1
SCHEMBL4299253 0.86 ADORA2A (0.67) ADORA2ACYP3A4CYP2C19MAPK1MAPT
SCHEMBL4286244 0.84 RAB9A (0.72) ADORA2ACYP3A4CYP2C19MAPK1MAPT
SCHEMBL4285954 0.83 NPC1 (0.85) ADORA2ACYP3A4CYP2C19MAPTPOLB
SCHEMBL15116277 0.83 CYP3A4 (0.74) CYP3A4MAPK1POLBSMN1; SMN2KDM4E
SCHEMBL4290305 0.82 ADORA2A (0.74) ADORA2ACYP3A4CYP2C19MAPTPOLB
SCHEMBL4290662 0.81 ADORA2A (0.69) ADORA2ACYP3A4CYP2C19MAPK1ALOX15
SCHEMBL4297591 0.81 GRM4 (0.69) ADORA2ACYP3A4CYP2C19MAPK1ALOX15
SCHEMBL4290205 0.80 RAB9A (0.70) ADORA2ACYP3A4CYP2C19MAPK1MAPT

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 1/4885CYP3A4 1764/4885CYP2C19 1411/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885CYP3A4 1764/4885CYP2C19 1411/4885

“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.