SCHEMBL2056313

SCHEMBL2056313

CCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
CYP2D6 P10635 5/20 0.49
CYP3A4 P08684 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KIF11 P52732 1/20 0.46
LTA4H P09960 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP19A1 P11511 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL2056113 0.94 L3MBTL1 (0.50) HRH2HRH1CYP2D6L3MBTL1LTA4H
SCHEMBL2056145 0.86 LTA4H (0.52) HRH2HRH1CYP2D6CYP3A4L3MBTL1
SCHEMBL9062349 0.86 NPC1 (0.50) HRH2HRH1CYP2D6CYP3A4ACACB
SCHEMBL9512274 0.86 ACACB (0.50) L3MBTL1LTA4HACACBCA12CA1
SCHEMBL9062255 0.86 LMNA (0.53) L3MBTL1LTA4HACACBCYP1A2CYP2C19
SCHEMBL9225282 0.85 FFAR4 (0.48) HRH2HRH1CYP2D6CYP3A4CYP2C9
SCHEMBL9060980 0.84 PTGS1 (0.55) CYP2D6CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL9060987 0.84 PTGS1 (0.55) CYP2D6CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL17108413 0.84 CYP3A4 (0.63) CYP2D6CYP3A4L3MBTL1LTA4HACACB
SCHEMBL9152649 0.84 CYP3A4 (0.63) CYP2D6CYP3A4L3MBTL1LTA4HACACB

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
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
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 HRH2 375/4885HRH1 501/4885CYP2D6 743/4885

“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.