SCHEMBL2096091

SCHEMBL2096091

[O]c1cc2ccccc2cc1N1CCC(Oc2ccc(OC(F)(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
FFAR1 O14842 11/20 0.37
MMP2 P08253 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
SCN9A Q15858 2/20 0.36
LIPC P11150 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
ACACB O00763 1/20 0.35

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
SCHEMBL2088580 0.78 MMP13 (0.41) MMP13FFAR1MMP2SCN9AKCNH2
SCHEMBL5537304 0.75 MMP13 (0.41) MMP13FFAR1MMP2SCN9AKCNH2
SCHEMBL5542924 0.73 MMP13 (0.43) MMP13FFAR1FFAR4KCNH2ACACB
SCHEMBL2096120 0.73 GPR6 (0.39) SCN9A
SCHEMBL2089533 0.71 CHRM4 (0.43) MMP13FFAR1KCNH2ACACB
SCHEMBL2093136 0.70 MMP13 (0.39) MMP13FFAR1SCN9AKCNH2ACACB
SCHEMBL2092360 0.70 SCN9A (0.37) MMP13SCN9AACACB
SCHEMBL2093005 0.70 PDE3B (0.43) MMP13FFAR1MMP2FFAR4SCN9A
SCHEMBL2094000 0.69 KCNH2 (0.46) MMP13FFAR1MMP2FFAR4SCN9A
SCHEMBL77291 0.69 GPR119 (0.60) MMP13

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 MMP13 4600/4885FFAR1 58/4885MMP2 4383/4885

“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.