SCHEMBL2095741

SCHEMBL2095741

CCCc1ccnc2ccc(OC)cc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.67
MTNR1B P49286 3/20 0.67
ROCK2 O75116 1/20 0.57
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
KCNH2 Q12809 5/20 0.47
NCF1 P14598 1/20 0.47
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46

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
SCHEMBL4081621 0.87 MTNR1A (0.64) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL591578 0.86 MTNR1A (0.62) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL6378710 0.86 MTNR1A (0.62) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL5503877 0.86 MTNR1A (0.66) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL2095739 0.86 MTNR1A (0.52) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL20542004 0.84 MTNR1A (0.63) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL3003009 0.83 MTNR1A (0.58) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL2544860 0.83 MTNR1A (0.61) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL27609303 0.83 MTNR1A (0.58) MTNR1AMTNR1BROCK2HTR1AADRA1D
SCHEMBL591421 0.83 MTNR1A (0.58) MTNR1AMTNR1BROCK2HTR1AADRA1D

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 MTNR1A 802/4885MTNR1B 707/4885ROCK2 2395/4885

“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.