SCHEMBL2097935

SCHEMBL2097935

[CH2]COC/C=C/c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
FBP1 P09467 1/20 0.42
CHAT P28329 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
CHRM5 P08912 1/20 0.42
NFE2L2 Q16236 3/20 0.40
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.39
CACNA1B Q00975 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2097937 1.00 RELA (0.45) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL6158729 0.80 CYP1A2 (0.52) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL11101680 0.79 IDO1 (0.61) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL7697733 0.79 RELA (0.47) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL11101682 0.79 IDO1 (0.61) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL9320124 0.78 IDO1 (0.59) MAOBMAOA
SCHEMBL9320118 0.78 IDO1 (0.59) MAOBMAOA
SCHEMBL1046008 0.77 CYP1A2 (0.49) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL1046009 0.77 CYP1A2 (0.49) RELACYP1A2CYP2C9FBP1CHAT
SCHEMBL14735305 0.75 RELA (0.47) RELACYP1A2CYP2C9FBP1CHAT

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 RELA 921/4885CYP1A2 420/4885CYP2C9 2206/4885

“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.