SCHEMBL2089157

SCHEMBL2089157

[CH2]C=Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.58
TLR2 O60603 1/20 0.58
ALOX5 P09917 3/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
EPOR P19235 4/20 0.51
ALOX5AP P20292 1/20 0.49
PPARG P37231 1/20 0.49
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
AKR1B1 P15121 1/20 0.44
KDM5A P29375 1/20 0.44

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
SCHEMBL2089155 1.00 TLR4 (0.58) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL27900292 0.86 TLR4 (0.64) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL2092808 0.82 TLR4 (0.55) TLR4TLR2PPARGMEN1NPC1
SCHEMBL2092809 0.82 TLR4 (0.55) TLR4TLR2PPARGMEN1NPC1
SCHEMBL27272351 0.81 TLR4 (0.55) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL15177159 0.81 TLR4 (0.58) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL34465491 0.80 TLR4 (0.53) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL3276887 0.80 TLR4 (0.53) TLR4TLR2ALOX5PTGS1PTGS2
SCHEMBL4812166 0.79 ROCK2 (0.41) TLR4TLR2LTA4HTSHRLMNA
SCHEMBL1044643 0.78 RELA (0.67) MAPT

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 TLR4 410/4885TLR2 112/4885ALOX5 2338/4885

“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.