SCHEMBL2094045

SCHEMBL2094045

[CH2]c1ccc(OCCCCCCCC)cc1OCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.46
LTA4H P09960 3/20 0.46
PLA2G4B P0C869 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
CNR2 P34972 2/20 0.44
PTPN11 Q06124 1/20 0.43

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
SCHEMBL19549600 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL28645328 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL15404359 1.00 NR5A1 (0.51) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL8019643 0.90 THRA (0.52) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL5248264 0.87 LTA4H (0.43) TP53LTA4H
SCHEMBL5251026 0.84 NR5A1 (0.49) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL9782939 0.84 THRA (0.46) NR5A1TSHRLTA4HPLA2G4BTHRA
SCHEMBL13412633 0.84 NR5A1 (0.56) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL2499383 0.82 NR5A1 (0.53) NR5A1TSHRTP53LTA4HPLA2G4B
SCHEMBL29657341 0.82 NR5A1 (0.53) NR5A1TSHRTP53LTA4HPLA2G4B

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 5 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
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 NR5A1 675/4885TSHR 162/4885TP53 4732/4885

“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.