SCHEMBL2097938

SCHEMBL2097938

[O]CCCOc1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MCL1 Q07820 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RBP4 P02753 1/20 0.43
DRD2 P14416 4/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PPARG P37231 1/20 0.42
NOTUM Q6P988 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL2090876 0.91 RXRA (0.50) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL2095578 0.82 RXRA (0.53) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL2097943 0.81 RXRA (0.49) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL14829861 0.81 HTR1B (0.51) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL8904282 0.81 RXRA (0.45) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL18833336 0.81 RXRA (0.47) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL7039560 0.81 MRGPRX4 (0.48) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL31706008 0.80 MRGPRX4 (0.48) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL5888832 0.80 MRGPRX4 (0.48) RXRARXRBRXRGMCL1MRGPRX4
SCHEMBL4948778 0.80 FFAR4 (0.62) RXRARXRBRXRGMCL1MRGPRX4

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 RXRA 179/4885RXRB 138/4885RXRG 289/4885

“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.