SCHEMBL2094030

SCHEMBL2094030

[O]c1c(N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)ccc2scnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.42
NOTUM Q6P988 1/20 0.38
ACACB O00763 1/20 0.38
KCNN4 O15554 2/20 0.37
DHFR P00374 1/20 0.36
MGLL Q99685 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
PIM1 P11309 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
EPHX2 P34913 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL2090670 0.84 KCNN4 (0.43) NOTUMKCNN4MGLLPIM1EPHX2
SCHEMBL5013349 0.80 KCNN4 (0.46) KCNN4
SCHEMBL2095942 0.79 SCD (0.37) EPHX2PDE3BPDE3A
SCHEMBL2088504 0.79 FPR2 (0.38) ACACBEPHX2
SCHEMBL2095821 0.79 FPR2 (0.37) SCN9AACACBKCNH2EPHX2
SCHEMBL27644493 0.76 TP53 (0.46) EPHX2
SCHEMBL2098158 0.74 TP53 (0.38) SCN9ADGAT1EPHX2FFAR4
SCHEMBL2093005 0.73 PDE3B (0.43) SCN9AACACBKCNH2SCN5AEPHX2
SCHEMBL2095145 0.73 TP53 (0.46) SCN9AEPHX2
SCHEMBL2094117 0.73 SCN9A (0.43) SCN9ANOTUMACACBDHFRMGLL

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 SCN9A 3557/4885NOTUM 4043/4885ACACB 881/4885

“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.