SCHEMBL2096337

SCHEMBL2096337

[CH2]CCCCCc1ccc([N+](=O)[O-])o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 3/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL2097554 0.98 LMNA (0.53) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL2096072 0.93 LMNA (0.54) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL2094268 0.86 LMNA (0.58) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL18476728 0.83 LMNA (0.51) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL22504349 0.83 LMNA (0.51) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL23394749 0.83 LMNA (0.51) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL18476730 0.83 LMNA (0.51) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL9684997 0.81 LMNA (0.53) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL27971705 0.79 LMNA (0.54) LMNATDP1L3MBTL1MAPTKMT2A
SCHEMBL2089914 0.78 LMNA (0.61) LMNATDP1L3MBTL1MAPTKMT2A

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-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 LMNA 4594/4885TDP1 4548/4885L3MBTL1 2575/4885

“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.