SCHEMBL2096017

SCHEMBL2096017

[O]c1ccc2c(N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
PDGFRB P09619 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.44
CHRM4 P08173 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
EPHX2 P34913 1/20 0.42
SCD O00767 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP8B1 Q9UNU6 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL2096022 0.88 ADRB2 (0.49) ADRB2NCF1PDGFRBTP53MEN1
SCHEMBL28761513 0.88 CHRM4 (0.49) ADRB2NCF1PDGFRBTP53MEN1
SCHEMBL2090832 0.80 ADRB2 (0.49) ADRB2NCF1PDGFRBKDM4EMAPT
SCHEMBL2091520 0.79 PDE10A (0.52) ADRB2NCF1PDGFRBCHRM4EPHX2
SCHEMBL27666161 0.76 TP53 (0.45) TP53MEN1KMT2ASCN10ACHRM4
SCHEMBL2090360 0.76 SCN10A (0.41) TP53MEN1KMT2ASCN10ACHRM4
SCHEMBL2092563 0.75 CHRM4 (0.54) ADRB2NCF1PDGFRBCHRM4SCD
SCHEMBL27666033 0.74 CHRM4 (0.39) ADRB2NCF1TP53MEN1KMT2A
SCHEMBL2091297 0.73 SCD (0.53) CHRM4SCD
SCHEMBL2090364 0.72 SCN10A (0.41) TP53MEN1KMT2ASCN10ACHRM4

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 ADRB2 125/4885NCF1 490/4885PDGFRB 2381/4885

“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.