SCHEMBL4285954

SCHEMBL4285954

O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.85
RAB9A P51151 6/20 0.85
SCD O00767 1/20 0.81
KCNK3 O14649 1/20 0.78
KCNK9 Q9NPC2 1/20 0.78
ADORA2A P29274 6/20 0.74
CYP2C19 P33261 2/20 0.74
CYP3A4 P08684 1/20 0.74
AGER Q15109 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 1/20 0.70
HSD17B10 Q99714 1/20 0.70
POLB P06746 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SCN3A Q9NY46 1/20 0.67
LMNA P02545 1/20 0.67
RECQL P46063 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
AURKA O14965 1/20 0.64

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
SCHEMBL995829 0.92 NPC1 (1.00) NPC1RAB9ASCDKCNK3KCNK9
Hydrochloric Acid SCHEMBL27594584 0.91 NPC1 (0.97) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4600878 0.90 NPC1 (0.73) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL16562033 0.90 SCD (1.00) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL5502572 0.90 AGER (0.76) NPC1RAB9ASCDKCNK3KCNK9
Cycloheptane SCHEMBL5500214 0.86 AGER (0.71) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4290305 0.86 ADORA2A (0.74) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL16603980 0.85 AGER (1.00) NPC1RAB9ASCDADORA2ACYP2C19
SCHEMBL27664693 0.85 AGER (0.69) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4290771 0.84 NPC1 (0.79) NPC1RAB9ASCDKCNK3KCNK9

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 NPC1 1022/4885RAB9A 2380/4885SCD 4684/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 NPC1 1022/4885RAB9A 2380/4885SCD 4684/4885

“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.