SCHEMBL2095618

SCHEMBL2095618

[O]C(CCCCCc1ccccc1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
FAAH O00519 6/20 0.40
TRPA1 O75762 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL2096342 1.00 CES1 (0.41) CES1NCEH1FAAHTRPA1S1PR2
SCHEMBL2097333 0.98 CES1 (0.39) CES1NCEH1FAAHTRPA1S1PR2
SCHEMBL2093740 0.94 DAO (0.38) CES1NCEH1MAPTRXFP1SIGMAR1
SCHEMBL2090535 0.88 ANPEP (0.37)
SCHEMBL6002777 0.84 FAAH (0.48) CES1NCEH1FAAHTRPA1S1PR2
SCHEMBL6002903 0.82 FAAH (0.46) CES1NCEH1FAAHTRPA1S1PR2
SCHEMBL5642021 0.80 MAOA (0.41) CES1NCEH1FAAHTRPA1S1PR2
SCHEMBL5641256 0.78 MAOA (0.42) CES1NCEH1FAAHS1PR2S1PR4
SCHEMBL2093344 0.78 CYP1A2 (0.39) SIGMAR1
SCHEMBL6000698 0.77 FAAH (0.41) CES1NCEH1FAAHTRPA1

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 CES1 2325/4885NCEH1 2204/4885FAAH 3448/4885

“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.