SCHEMBL2090198

SCHEMBL2090198

[CH2]COc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.56
HSPB1 P04792 5/20 0.50
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3118631 0.83 S1PR4 (0.59) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL1978052 0.83 S1PR4 (0.52) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL28221061 0.81 MEN1 (0.55) HSPB1ALDH1A1HIF1ATDP1MAPT
SCHEMBL2094994 0.81 HSPB1 (0.54) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL2563093 0.81 S1PR4 (0.53) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL3696729 0.80 S1PR4 (0.56) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL27897850 0.80 MAPT (0.58) ALDH1A1TDP1RAB9AMAPTKMT2A
SCHEMBL3441990 0.80 S1PR4 (0.66) S1PR4HSPB1ALDH1A1HIF1ATDP1
SCHEMBL22381243 0.80 S1PR4 (0.62) S1PR4HSPB1ALDH1A1MAPTMAPK1
SCHEMBL30672731 0.80 S1PR4 (0.66) S1PR4HSPB1ALDH1A1HIF1ATDP1

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-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
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 S1PR4 2394/4885HSPB1 1921/4885ALDH1A1 412/4885

“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.