SCHEMBL2090101

SCHEMBL2090101

CN(c1ccc(Cl)cc1)C1CCN(c2ccc(OC3CCCCO3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
FFAR1 O14842 1/20 0.35
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPY5R Q15761 1/20 0.35
ACACB O00763 1/20 0.34
LTA4H P09960 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.33
AR P10275 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MEN1 O00255 1/20 0.33
TNK2 Q07912 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL6001476 0.95 KCNH2 (0.35) LSSCRHBPCRHR2FFAR1FPR2
SCHEMBL6002658 0.94 LTA4H (0.40) LSSCRHBPCRHR2FFAR1FPR2
SCHEMBL29656929 0.79 ALDH1A1 (0.45) ALDH1A1KMT2ASLC18A3MEN1TNK2
SCHEMBL8663836 0.77 SLC6A4 (0.41) ALDH1A1KMT2AMEN1TNK2
SCHEMBL14438088 0.75 FPR2 (0.46) LSSFPR2PROKR1CYP3A4NPY5R
SCHEMBL2090519 0.74 NPY5R (0.45) LSSFPR2PROKR1CYP3A4NPY5R
SCHEMBL5534813 0.73 ADRB1 (0.49) LTA4HALDH1A1SLC18A3TNK2
SCHEMBL5541756 0.71 KCNH2 (0.41) ALDH1A1SLC18A3TNK2
SCHEMBL3500438 0.70 TNK2 (0.44) NPY5RALDH1A1KMT2AMEN1TNK2
SCHEMBL5535588 0.70 KCNH2 (0.50) FFAR1FPR2PROKR1ACACB

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 LSS 2108/4885CRHBP 3949/4885CRHR2 285/4885

“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.