SCHEMBL2096973

SCHEMBL2096973

CCc1cccc(C[O])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
CXCR4 P61073 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36

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
SCHEMBL45869 0.87 KCNH2 (0.52) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL11564452 0.85 KCNH2 (0.50) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL6983417 0.76 PGK1 (0.45) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL660573 0.76 KCNH2 (0.43) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL8071021 0.76
SCHEMBL7685870 0.76 KCNH2 (0.59) KCNH2CXCR4NPSR1PARP1HRH4
SCHEMBL12242755 0.76 KCNH2 (0.43) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL5104176 0.76 CCR1 (0.44) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL15223507 0.76 KCNH2 (0.43) KCNH2CXCR4NPSR1PARP1PGK1
SCHEMBL243243 0.76

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 7 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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP 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 3121/4885CXCR4 991/4885NPSR1 202/4885

“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.