SCHEMBL4286198

SCHEMBL4286198

Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.61
ADORA1 P30542 2/20 0.61
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
TP53 P04637 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.52
GRM4 Q14833 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
SCD O00767 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
PRSS12 P56730 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL5493719 0.88 ADORA2A (0.60) ADORA2AADORA1CYP3A4CYP2C19NPC1
SCHEMBL4290791 0.87 ADORA2A (0.69) ADORA2AADORA1CYP3A4CYP2C19NPC1
SCHEMBL27643478 0.86 ADORA2A (0.60) ADORA2AADORA1CYP3A4CYP2C19NPC1
SCHEMBL27702357 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL27891481 0.83 NPC1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4297582 0.81 ADORA2A (0.69) ADORA2AADORA1CYP3A4CYP2C19NPC1
SCHEMBL4295229 0.81 ADORA2A (0.69) ADORA2AADORA1CYP3A4CYP2C19NPC1
Cycloheptane SCHEMBL5501371 0.80 ADORA2A (0.69) ADORA2AADORA1CYP3A4CYP2C19NPC1
SCHEMBL4290911 0.79 RAB9A (0.77) ADORA2AADORA1TP53NPC1RAB9A
SCHEMBL1119373 0.78 RAB9A (0.71) ADORA2AADORA1CYP3A4CYP2C19NPC1

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 13 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
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN 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 3/4885CYP3A4 1764/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885CYP3A4 1764/4885

“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.