SCHEMBL4297582

SCHEMBL4297582

Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1F

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
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.52
HPGD P15428 2/20 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
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL4290791 0.87 ADORA2A (0.69) ADORA2ACYP3A4CYP2C19ADORA1RAB9A
SCHEMBL4295229 0.87 ADORA2A (0.69) ADORA2ACYP3A4CYP2C19ADORA1RAB9A
SCHEMBL28758180 0.86 ADORA2A (0.61) ADORA2ACYP3A4CYP2C19ADORA1RAB9A
SCHEMBL4285936 0.85 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL24072353 0.84 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19RAB9ANPC1
SCHEMBL30339046 0.84 CYP3A4 (0.81) ADORA2ACYP3A4CYP2C19RAB9ANPC1
Cycloheptane SCHEMBL5501393 0.81 ADORA2A (0.66) ADORA2AADORA1RAB9ANPC1MEN1
SCHEMBL4286198 0.81 ADORA2A (0.61) ADORA2ACYP3A4CYP2C19ADORA1RAB9A
SCHEMBL4286402 0.78 ADORA2A (0.75) ADORA2ACYP2C19ADORA1RAB9ANPC1
SCHEMBL27643461 0.78 ADORA2A (0.59) ADORA2ACYP3A4CYP2C19ADORA1RAB9A

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 1/4885CYP3A4 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.