SCHEMBL3188607

SCHEMBL3188607

O=C(Nc1nccs1)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
MAPT P10636 4/20 0.65
LMNA P02545 3/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 4/20 0.61
RAB9A P51151 7/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
ESR2 Q92731 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53
MCL1 Q07820 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL3181018 0.85 ALDH1A1 (0.67) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL1454189 0.83 ALDH1A1 (0.67) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL27664706 0.82 MAPT (0.76) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL4287857 0.80 ALDH1A1 (0.66) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL3199881 0.80 RAB9A (0.66) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL3191246 0.79 NPC1 (1.00) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL22348661 0.78 NPC1 (0.72) NPC1MAPTLMNAKDM4EALDH1A1
SCHEMBL4292567 0.78 RAB9A (0.59) NPC1MAPTLMNAKMT2ARAB9A
SCHEMBL25394468 0.76 MEN1 (0.58) NPC1MAPTLMNAALDH1A1KMT2A
SCHEMBL9963854 0.76 RAB9A (0.89) NPC1MAPTLMNAKDM4EALDH1A1

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
US-7674912-B2 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2010-03-09 US disclosed
US-20090247593-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 US disclosed
CN-101175737-A Pro-drugs of N-thiazol-2yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2008-05-07 CN disclosed
EP-1877391-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. Lundbeck A/S (DK) 2008-01-16 EP 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
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives H. LUNDBECK A/S (DK) 2006-11-23 US disclosed
WO-2006114093-A1 PRO-DRUGS OF N-THIAZOL-2YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-11-02 WO 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 (3 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 NPC1 1022/4885MAPT 1300/4885LMNA 2722/4885
US-20060154974-A1 N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA3, ADORA1 NPC1 1022/4885MAPT 1300/4885LMNA 2722/4885
US-20060264485-A1 Pro-drugs of N-thiazol-2-yl-benzamide derivatives ADORA2A, ADORA2B, ADORA1 NPC1 652/4885MAPT 1039/4885LMNA 453/4885

“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.