SCHEMBL2095548

SCHEMBL2095548

[O]c1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.57
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
COMT P21964 1/20 0.46
KMT2A Q03164 2/20 0.45
CHKA P35790 1/20 0.43
MEN1 O00255 1/20 0.43
DRD4 P21917 2/20 0.43
CLPP Q16740 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ABCB1 P08183 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL17565147 0.84 ACACB (0.57) ACACBKDM4EALDH1A1COMTKMT2A
SCHEMBL2093709 0.84 ACACB (0.59) ACACBALDH1A1KMT2ADRD4DRD3
SCHEMBL2098334 0.83 ACACB (0.54) ACACBKDM4EALDH1A1KMT2AMEN1
SCHEMBL4157838 0.82 MEN1 (0.58) KDM4EALDH1A1KMT2AMEN1TNF
SCHEMBL17565148 0.82 ACACB (0.55) ACACBKDM4EALDH1A1KMT2AABCB1
Potassium Ion SCHEMBL4527368 0.81 ACACB (0.57) ACACBKDM4EALDH1A1KMT2AMEN1
SCHEMBL1263457 0.80 HDAC6 (0.62) ACACBKDM4EKMT2AMEN1TNF
SCHEMBL4517559 0.79 ACACB (0.66) ACACBKDM4EKMT2AMEN1TNF
SCHEMBL698769 0.76 KDM4E (0.49) ACACBKDM4EALDH1A1COMTKMT2A
SCHEMBL28419536 0.76 ACACB (0.52) ACACBKDM4EALDH1A1KMT2ACHKA

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 ACACB 881/4885KDM4E 4578/4885ALDH1A1 412/4885

“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.