SCHEMBL2094556

SCHEMBL2094556

CCc1cccc(OC2CCCCN2c2ncccc2[O])c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
GRM2 Q14416 1/20 0.33
KCNN4 O15554 1/20 0.33
ACHE P22303 1/20 0.33
ELANE P08246 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
SCHEMBL2092713 0.79 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL2093223 0.74 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2091932 0.68 GPR6 (0.39) SLC6A2SLC6A4
SCHEMBL11941056 0.67 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL16404861 0.66 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2
SCHEMBL20064585 0.64 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL18019002 0.64 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL2090732 0.63 SMN1; SMN2 (0.42) KDM4EALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL13855660 0.62 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL11941578 0.62 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2GRM2

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 KDM4E 4578/4885ALDH1A1 412/4885SMN1; SMN2 3787/4885

“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.