SCHEMBL4293169

SCHEMBL4293169

O=C(CCC1CCCC1)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
ADORA2A P29274 8/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 5/20 0.68
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 4/20 0.68
CYP2C9 P11712 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
STAT3 P40763 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 1/20 0.58
AGER Q15109 1/20 0.58
EPHX2 P34913 1/20 0.56
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55

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
SCHEMBL4286580 0.89 EPHX2 (0.73) POLBADORA2ACYP2C19KMT2AALDH1A1
SCHEMBL4291950 0.88 EPHX2 (0.71) POLBADORA2ACYP2C19KMT2AALDH1A1
SCHEMBL4286358 0.88 EPHX2 (0.71) POLBADORA2ACYP2C19KMT2AALDH1A1
SCHEMBL27481293 0.86 POLB (0.97) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2655905 0.84 POLB (1.00) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27664707 0.83 ADORA2A (0.61) POLBADORA2ACYP2C19KMT2AALDH1A1
SCHEMBL15113185 0.82 MEN1 (0.98) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4293906 0.81 ADORA2A (1.00) ADORA2ACYP2C19KMT2AMEN1CYP2C9
SCHEMBL15113168 0.81 MEN1 (1.00) POLBKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4293208 0.80 SMN1; SMN2 (0.65) ADORA2ACYP2C19KMT2AALDH1A1MEN1

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 POLB 4314/4885ADORA2A 1/4885CYP2C19 1411/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 POLB 4314/4885ADORA2A 1/4885CYP2C19 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.