SCHEMBL2094569

SCHEMBL2094569

[O]c1cc(N2CCC(Cc3ccccc3C(F)(F)F)CC2)c2ncsc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.35
RBP4 P02753 3/20 0.35
TTR P02766 3/20 0.35
SLC6A4 P31645 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP2C9 P11712 4/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCD O00767 1/20 0.34
EPHX2 P34913 3/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
GRM2 Q14416 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 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
SCHEMBL2094572 0.88 EPHX2 (0.35) RBP4TTRCYP2C9CYP2C19HTR2B
SCHEMBL27665965 0.86 HTR1A (0.40) C5AR1RBP4TTRGRM2
SCHEMBL5012794 0.84 SCD (0.48) CYP2C9CYP2C19SCD
SCHEMBL2095591 0.80 SCD (0.50) RBP4TTRSCD
SCHEMBL2091003 0.78 RPS6KB1 (0.38) SLC6A4
SCHEMBL2094947 0.76 SLC18A3 (0.37) ACHE
SCHEMBL2093573 0.74 RBP4 (0.39) C5AR1RBP4TTRBCHEACHE
SCHEMBL5012795 0.72 SCD (0.48) SCD
SCHEMBL27645101 0.71 DCPS (0.41) C5AR1CYP2C9EPHX2
SCHEMBL2090842 0.70 EPHX2 (0.34) CYP2C9EPHX2ITGB2ICAM1ITGAL

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 C5AR1 1156/4885RBP4 930/4885TTR 4486/4885

“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.