SCHEMBL4288985

SCHEMBL4288985

Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)CCc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 3/20 0.64
RXFP1 Q9HBX9 1/20 0.64
ADORA2A P29274 5/20 0.59
ADORA1 P30542 4/20 0.59
TDP1 Q9NUW8 2/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
FAAH O00519 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4290225 0.83 ADORA2A (0.68) NPC1RAB9AADORA2AADORA1KMT2A
SCHEMBL4293148 0.80 ADORA2A (0.74) NPC1RAB9AADORA2AADORA1MAPK1
SCHEMBL4294452 0.78 ADORA2A (0.66) NPC1RAB9AADORA2AADORA1MAPK1
SCHEMBL4295334 0.77 ADORA2A (0.70) NPC1RAB9AADORA2AADORA1MAPK1
SCHEMBL4289795 0.75 ADORA2A (0.73) NPC1RAB9AADORA2AADORA1MAPK1
SCHEMBL3189489 0.75 ADORA2A (1.00) NPC1RAB9AADORA2AADORA1MAPK1
SCHEMBL4297523 0.75 ADORA2A (0.69) NPC1RAB9ARXFP1ADORA2AADORA1
Cycloheptane SCHEMBL5501371 0.74 ADORA2A (0.69) NPC1RAB9ARXFP1ADORA2AADORA1
SCHEMBL4290407 0.74 ADORA2A (0.68) NPC1RAB9ARXFP1ADORA2AADORA1
SCHEMBL24101689 0.72 NPC1 (0.73) NPC1RAB9ARXFP1TDP1FAAH

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 NPC1 1022/4885RAB9A 2380/4885RXFP1 336/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 NPC1 1022/4885RAB9A 2380/4885RXFP1 336/4885

“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.