SCHEMBL2094883

SCHEMBL2094883

[CH2]CCCCCc1csc2ccc(F)cc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
MTNR1B P49286 2/20 0.52
CA2 P00918 1/20 0.48
MPO P05164 4/20 0.38
CYP2A6 P11509 3/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL2094885 0.88 MTNR1A (0.40) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL27628031 0.87 MTNR1A (0.57) MTNR1AMTNR1BCA2CYP2A6MAPT
SCHEMBL2092471 0.82 CYP2A6 (0.58) CA2CYP2A6MAPTKEAP1NFE2L2
SCHEMBL8435459 0.81 MTNR1A (0.58) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL5234280 0.81 MTNR1A (0.55) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL6985740 0.81 MTNR1A (0.55) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL8648779 0.81 MTNR1A (0.58) MTNR1AMTNR1BCA2MPOCYP2A6
SCHEMBL2093816 0.80 CA2 (0.55) MTNR1AMTNR1BCA2CYP2A6MAPT
SCHEMBL5548229 0.80 CYP2A6 (0.59) CA2CYP2A6MAPTKEAP1NFE2L2
SCHEMBL5536097 0.78 CYP2A6 (0.55) MTNR1ACA2CYP2A6MAPTTP53

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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 707/4885CA2 2002/4885

“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.