SCHEMBL4295077

SCHEMBL4295077

O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 6/20 0.65
NPC1 O15118 5/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
KMT2A Q03164 3/20 0.64
TP53 P04637 1/20 0.62
GCK P35557 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.57
MAPK1 P28482 1/20 0.57
ADORA2A P29274 1/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
MGAM O43451 1/20 0.55
GAA P10253 1/20 0.55
SI P14410 1/20 0.55
STAT1 P42224 1/20 0.55
RECQL P46063 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
SCHEMBL4288967 0.85 LMNA (0.65) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL5713383 0.83 NPC1 (0.65) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL4290443 0.81 NPC1 (0.60) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL31135099 0.80 ALDH1A1 (0.50) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL31135100 0.80 ALDH1A1 (0.50) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL27643462 0.80 GCK (0.64) ALDH1A1NPC1KDM4ELMNAKMT2A
SCHEMBL3191246 0.79 NPC1 (1.00) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL4286409 0.79 MAPT (0.57) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL22348661 0.78 NPC1 (0.72) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL8618810 0.77 ALDH1A1 (1.00) ALDH1A1MAPTNPC1LMNAKMT2A

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 7 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 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 ALDH1A1 624/4885MAPT 1300/4885NPC1 1022/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 ALDH1A1 624/4885MAPT 1300/4885NPC1 1022/4885

“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.