SCHEMBL2091464

SCHEMBL2091464

[CH2]OCCCC/C=C/c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
AHR P35869 1/20 0.37
CYP1A2 P05177 2/20 0.35
PPARA Q07869 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.34
DRD2 P14416 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
FBP1 P09467 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL2091465 1.00 KCNH2 (0.39) KCNH2AHRCYP1A2PPARACYSLTR1
SCHEMBL2096068 0.95 KCNH2 (0.40) KCNH2AHRCYP1A2PPARADRD2
SCHEMBL2096071 0.95 KCNH2 (0.40) KCNH2AHRCYP1A2PPARADRD2
SCHEMBL2089623 0.87 AHR (0.41) KCNH2AHRCYP1A2DRD2GRIK1
SCHEMBL2089624 0.87 AHR (0.41) KCNH2AHRCYP1A2DRD2GRIK1
SCHEMBL5538360 0.79 KCNH2 (0.36) KCNH2AHRCYP1A2PPARACYSLTR1
SCHEMBL5538363 0.79 KCNH2 (0.36) KCNH2AHRCYP1A2PPARACYSLTR1
SCHEMBL2092628 0.78 KCNH2 (0.42) KCNH2AHRCYP1A2DRD2GRIK1
SCHEMBL2092631 0.78 KCNH2 (0.42) KCNH2AHRCYP1A2DRD2GRIK1
SCHEMBL2094196 0.77 CYP1A2 (0.42) KCNH2AHRCYP1A2DRD2GRIK1

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 3 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

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 KCNH2 3121/4885AHR 1050/4885CYP1A2 420/4885

“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.