SCHEMBL2094804

SCHEMBL2094804

[O]c1ccc2nccc(N3CCC(Cc4ccc(C(F)(F)C(F)(F)F)cc4)CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.38
NCF1 P14598 3/20 0.38
ADRB2 P07550 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CHRM4 P08173 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR6 P50406 1/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALK Q9UM73 1/20 0.34
STAT3 P40763 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL2094807 0.88 ENPP1 (0.40) RPS6KB1NCF1ADRB2LPLLIPG
SCHEMBL2092563 0.82 CHRM4 (0.54) NCF1ADRB2LPLLIPGCHRM4
SCHEMBL2093573 0.79 RBP4 (0.39) NCF1ADRB2CHRM4
SCHEMBL2090832 0.75 ADRB2 (0.49) NCF1ADRB2HTR6KDM4EMAPT
SCHEMBL2089595 0.73 NMT1 (0.46) RPS6KB1NCF1ADRB2CA12CA1
SCHEMBL2091003 0.73 RPS6KB1 (0.38) RPS6KB1LPLLIPGCA12CA1
SCHEMBL27666016 0.70 ADRB2 (0.47) NCF1ADRB2HTR1AHTR6KDM4E
SCHEMBL2092565 0.70 CHRM4 (0.54) NCF1ADRB2LIPGCHRM4
SCHEMBL2097959 0.69 NPC1 (0.41) NCF1ADRB2CHRM4ALDH1A1KDM4E
SCHEMBL2091297 0.68 SCD (0.53) CHRM4

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
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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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 RPS6KB1 470/4885NCF1 490/4885ADRB2 125/4885

“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.