SCHEMBL2096531

SCHEMBL2096531

[CH]CCc1cccc(OC(F)(F)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
DAO P14920 1/20 0.42
CETP P11597 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CNR1 P21554 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL2094014 0.90 PPARA (0.41) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2090884 0.86 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2097390 0.86 CETP (0.39) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2092566 0.83 TAAR1 (0.57) CHRM2CHRM1CHRM3DAOTAAR1
SCHEMBL2096533 0.83 PPARA (0.46) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2091440 0.83 CHRM2 (0.43) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2092564 0.83 CHRM2 (0.43) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2092169 0.81 PPARA (0.41) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2092170 0.81 TAAR1 (0.46) CHRM2CHRM1CHRM3DAOTAAR1
SCHEMBL2094015 0.81 PPARA (0.53) CHRM2CHRM1CHRM3DAOCETP

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 CHRM2 776/4885CHRM1 575/4885CHRM3 1184/4885

“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.