SCHEMBL2089623

SCHEMBL2089623

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.41
CYP1A2 P05177 2/20 0.38
KCNH2 Q12809 2/20 0.38
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
FBP1 P09467 1/20 0.36
DRD2 P14416 2/20 0.36
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL2089624 1.00 AHR (0.41) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2096071 0.89 KCNH2 (0.40) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2096068 0.89 KCNH2 (0.40) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2091465 0.87 KCNH2 (0.39) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2091464 0.87 KCNH2 (0.39) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL8956258 0.84 AHR (0.43) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL8866662 0.81 IDO1 (0.45) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL8866659 0.81 IDO1 (0.45) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2089771 0.78 AHR (0.45) AHRCYP1A2KCNH2GRIK1GRIK2
SCHEMBL2089772 0.78 AHR (0.45) AHRCYP1A2KCNH2GRIK1GRIK2

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

“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.