SCHEMBL4286514

SCHEMBL4286514

O=C(Nc1nccs1)c1ccc(NC(=O)C2CCCC2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
RAB9A P51151 8/20 0.51
NPC1 O15118 8/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 1/20 0.51
ESR2 Q92731 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE4B Q07343 1/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 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
SCHEMBL4289116 0.87 RAB9A (0.54) ADORA2AADORA1RAB9ANPC1MAPT
SCHEMBL4287595 0.87 ADORA2A (0.62) ADORA2AADORA1RAB9ANPC1MAPT
SCHEMBL4289814 0.87 ADORA2A (0.61) ADORA2AADORA1RAB9ANPC1MAPT
SCHEMBL4286187 0.84 ADORA2A (0.67) ADORA2AADORA1RAB9ANPC1MAPT
Cycloheptane SCHEMBL5501393 0.84 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1MAPT
SCHEMBL4293208 0.82 SMN1; SMN2 (0.65) ADORA2ARAB9ANPC1MAPTHSD17B10
SCHEMBL17404960 0.79 NPC1 (0.68) NPC1POLBMEN1KMT2AALDH1A1
SCHEMBL8013302 0.78 NPC1 (0.67) RAB9ANPC1POLBMEN1KMT2A
SCHEMBL4285936 0.77 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1MAPT
SCHEMBL4286402 0.77 ADORA2A (0.75) ADORA2AADORA1RAB9ANPC1MAPT

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 ADORA2A 1/4885ADORA1 3/4885RAB9A 2380/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885RAB9A 2380/4885

“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.