SCHEMBL4288967

SCHEMBL4288967

O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
NPC1 O15118 3/20 0.65
MAPT P10636 3/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 4/20 0.58
HPGD P15428 1/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 3/20 0.55
MGAM O43451 2/20 0.55
SI P14410 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MGAM2 Q2M2H8 2/20 0.55
POLB P06746 1/20 0.55
STAT1 P42224 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GCK P35557 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL4295077 0.85 ALDH1A1 (0.67) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL5713383 0.83 NPC1 (0.65) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL4290443 0.81 NPC1 (0.60) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL12121115 0.80 NPC1 (0.62) LMNANPC1MAPTALDH1A1HPGD
SCHEMBL4293361 0.80 NPC1 (0.62) LMNANPC1ALDH1A1GAARAB9A
SCHEMBL29273242 0.80 NPC1 (0.64) LMNANPC1MAPTALDH1A1KMT2A
SCHEMBL3191246 0.79 NPC1 (1.00) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL4286409 0.79 MAPT (0.57) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL22348661 0.78 NPC1 (0.72) LMNANPC1MAPTKDM4EALDH1A1
SCHEMBL25433021 0.76 RORC (0.60) LMNANPC1MAPTKDM4EALDH1A1

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

“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.