SCHEMBL2096097

SCHEMBL2096097

[CH2]C=Cc1ccc(OCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
AHR P35869 1/20 0.55
LTA4H P09960 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
CHRNA7 P36544 2/20 0.49
CHRNA10 Q9GZZ6 2/20 0.49
CHRNA9 Q9UGM1 2/20 0.49
PLA2G4B P0C869 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
APP P05067 6/20 0.48

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
SCHEMBL2096094 1.00 NR5A1 (0.56) NR5A1AHRLTA4HTP53TSHR
SCHEMBL6200186 0.98 AHR (0.57) NR5A1AHRLTA4HTP53TSHR
SCHEMBL6200188 0.98 AHR (0.57) NR5A1AHRLTA4HTP53TSHR
SCHEMBL2095126 0.95 AHR (0.60) NR5A1AHRLTA4HTP53CHRNA7
SCHEMBL23998046 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR
SCHEMBL12214081 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR
SCHEMBL2042216 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR
SCHEMBL2044215 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR
SCHEMBL2043353 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR
SCHEMBL12312180 0.89 AHR (0.67) NR5A1AHRLTA4HTP53TSHR

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 675/4885AHR 1050/4885LTA4H 3093/4885

“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.