SCHEMBL2090360

SCHEMBL2090360

[O]c1cccc2nccc(N3CCC(Oc4cccc(C(F)(F)C(F)(F)F)c4)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
CHRM4 P08173 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
PDE10A Q9Y233 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCD O00767 1/20 0.34
CNR1 P21554 1/20 0.33
GPR6 P46095 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DGAT1 O75907 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
SCHEMBL2090364 0.89 SCN10A (0.41) SCN10ACHRM4TP53MEN1KMT2A
SCHEMBL27666033 0.83 CHRM4 (0.39) SCN10ACHRM4TP53MEN1KMT2A
SCHEMBL2094117 0.82 SCN9A (0.43) SCN10ACHRM4EPHX2PDE3BPDE3A
SCHEMBL2094840 0.79 CHRM4 (0.40) CHRM4SCD
SCHEMBL28761513 0.77 CHRM4 (0.49) SCN10ACHRM4TP53MEN1KMT2A
SCHEMBL2096017 0.76 ADRB2 (0.49) SCN10ACHRM4TP53MEN1KMT2A
SCHEMBL2094363 0.74 CHRM4 (0.39) CHRM4EPHX2CNR1GPR6
SCHEMBL2089313 0.74 CHRM4 (0.44) CHRM4EPHX2
SCHEMBL2096259 0.74 PDE3B (0.39) CHRM4EPHX2PDE3BPDE3APDE10A
SCHEMBL2092563 0.73 CHRM4 (0.54) CHRM4PDE3BPDE3APDE10ASCD

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 SCN10A 3928/4885CHRM4 1284/4885TP53 4732/4885

“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.