SCHEMBL4290791

SCHEMBL4290791

Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C19 P33261 1/20 0.69
ADORA1 P30542 2/20 0.63
GRM4 Q14833 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
PIK3CD O00329 1/20 0.53
PIK3C2B O00750 1/20 0.53
AURKA O14965 1/20 0.53
PIK3C2G O75747 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK3 P27361 1/20 0.53

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
SCHEMBL4297582 0.87 ADORA2A (0.69) ADORA2ACYP3A4CYP2C19ADORA1NPC1
SCHEMBL4286198 0.87 ADORA2A (0.61) ADORA2ACYP3A4CYP2C19ADORA1GRM4
SCHEMBL4295229 0.87 ADORA2A (0.69) ADORA2ACYP3A4CYP2C19ADORA1NPC1
SCHEMBL30339046 0.84 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19NPC1RAB9A
SCHEMBL24072353 0.84 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19NPC1RAB9A
SCHEMBL3188105 0.82 AGER (0.74) ADORA2ACYP3A4CYP2C19ADORA1GRM4
Cycloheptane SCHEMBL5493970 0.81 ADORA2A (0.66) ADORA2AADORA1NPC1RAB9AMEN1
SCHEMBL4290956 0.81 ADORA2A (0.72) ADORA2ACYP3A4CYP2C19GRM4NPC1
SCHEMBL5493719 0.80 ADORA2A (0.60) ADORA2ACYP3A4CYP2C19ADORA1NPC1
SCHEMBL27643478 0.80 ADORA2A (0.60) ADORA2ACYP3A4CYP2C19ADORA1NPC1

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
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
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.