SCHEMBL4286409

SCHEMBL4286409

CCCOc1cc([N+](=O)[O-])ccc1C(=O)Nc1nccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
NPC1 O15118 4/20 0.57
LMNA P02545 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 4/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 3/20 0.50
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
STAT1 P42224 1/20 0.48

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
SCHEMBL4288720 0.83 MAPK1 (0.58) MAPTNPC1LMNAALDH1A1ALOX15
SCHEMBL17274993 0.80 MAPK1 (0.81) NPC1LMNAALDH1A1ALOX15MAPK1
SCHEMBL4290165 0.79 ADORA2A (0.64) MAPTNPC1LMNAALOX15MAPK1
SCHEMBL4288967 0.79 LMNA (0.65) MAPTNPC1LMNAKDM4EALDH1A1
SCHEMBL4295077 0.79 ALDH1A1 (0.67) MAPTNPC1LMNAKDM4EALDH1A1
SCHEMBL4290003 0.77 ADORA2A (0.62) MAPTNPC1ALOX15MAPK1RAB9A
SCHEMBL4299463 0.77 ADORA2A (0.80) MAPTNPC1ALOX15MAPK1RAB9A
SCHEMBL5713383 0.77 NPC1 (0.65) MAPTNPC1LMNAKDM4EALDH1A1
SCHEMBL13440156 0.76 CYP19A1 (0.55) MAPTALDH1A1ALOX15MAPK1POLB
SCHEMBL4290443 0.75 NPC1 (0.60) MAPTNPC1LMNAKDM4EALDH1A1

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 6 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
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 MAPT 1300/4885NPC1 1022/4885LMNA 2722/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 MAPT 1300/4885NPC1 1022/4885LMNA 2722/4885

“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.