SCHEMBL2094844

SCHEMBL2094844

Oc1cccc2nccc(N3CCC(Oc4cc(Cl)c(Cl)c(Cl)c4)CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
KCNH2 Q12809 7/20 0.36
HRH1 P35367 6/20 0.36
CCR3 P51677 6/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 3/20 0.35
ERBB2 P04626 2/20 0.35
ACACB O00763 5/20 0.35
SCD O00767 1/20 0.34
SRC P12931 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FFAR1 O14842 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
SCHEMBL2094840 0.87 CHRM4 (0.40) CHRM4KCNH2HRH1CCR3EGFR
SCHEMBL2094366 0.83 CHRM4 (0.39) CHRM4KCNH2HRH1CCR3ACACB
SCHEMBL27666019 0.82 CHRM4 (0.50) CHRM4KCNH2KDM4ESCDALDH1A1
SCHEMBL2098513 0.81 CCR3 (0.42) CCR3KDM4EMAPTALDH1A1
SCHEMBL2090364 0.79 SCN10A (0.41) CHRM4ALDH1A1
SCHEMBL2089315 0.78 CHRM4 (0.44) CHRM4KDM4EMAPTEGFRACACB
SCHEMBL2094363 0.72 CHRM4 (0.39) CHRM4ACACBFFAR1
SCHEMBL2098511 0.68 CCR3 (0.42) CCR3KDM4EMAPTALDH1A1
SCHEMBL2089313 0.67 CHRM4 (0.44) CHRM4KCNH2ACACBFFAR1
SCHEMBL2092573 0.67 ALDH1A1 (0.43) KCNH2MAPTALDH1A1

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 CHRM4 1284/4885KCNH2 3121/4885HRH1 501/4885

“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.