SCHEMBL2093843

SCHEMBL2093843

[CH2]OCc1ccc(OC(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.38
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ RXRA P19793 2/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ EPHX2 P34913 1/20 0.30
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL2093848 0.83 ENPP2 (0.40) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29483277 0.79 LOXL2 (0.37) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12949847 0.79 RXRA (0.39) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21922351 0.79 ENPP2 (0.37) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7999486 0.79 ENPP2 (0.35) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24401039 0.79 LOXL2 (0.37) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8572249 0.79 ENPP2 (0.35) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30612233 0.79 ENPP2 (0.37) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29023243 0.77 MAOB (0.39) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29995671 0.77 ENPP2 (0.34) ENPP2CYP1A2CYP3A4CYP2C9CYP2C19

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 3 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

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 ENPP2 1640/4885CYP1A2 420/4885CYP3A4 1734/4885

“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.

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