SCHEMBL2092011

SCHEMBL2092011

[CH2]c1cc2ccc(C(F)(F)F)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
PGR P06401 1/20 0.40
BACE1 P56817 1/20 0.37
METAP2 P50579 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
EPHX2 P34913 3/20 0.34
PIM3 Q86V86 1/20 0.34
PTPN5 P54829 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAOA P21397 1/20 0.33
MGLL Q99685 1/20 0.32
NPBWR1 P48145 1/20 0.32
SCN4A P35499 1/20 0.32
CES2 O00748 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL6003115 0.85 PIM1 (0.56) PIM1PIM2PGRBACE1METAP2
SCHEMBL2056905 0.77 PIM1 (0.40) PIM1PIM2PGRBACE1METAP2
SCHEMBL21823818 0.77 PIM1 (0.40) PIM1PIM2PGRBACE1METAP2
SCHEMBL6001318 0.77 PIM1 (0.37) PIM1PIM2PGRBACE1METAP2
SCHEMBL2096171 0.74 APP (0.41) PGRKDM4E
SCHEMBL15842571 0.73 PGR (0.58) PGRBACE1KDM4EMAOACYP19A1
SCHEMBL2056131 0.73 HRH3 (0.40) PIM1PIM2PGRBACE1METAP2
SCHEMBL12100426 0.73 MGLL (0.53) PIM1PIM2PGRBACE1METAP2
SCHEMBL15842332 0.73 PGR (0.43) PIM1PIM2PGRHRH3PIM3
SCHEMBL9825730 0.72 PIM1 (0.40) PIM1PIM2PGRBACE1METAP2

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 PIM1 3429/4885PIM2 2138/4885PGR 2305/4885

“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.