SCHEMBL2090447

SCHEMBL2090447

[O]c1c(N2CCC(Nc3cccc(F)c3)CC2)ccc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MLNR O43193 4/20 0.43
HTR6 P50406 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
CHRM4 P08173 2/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CNR1 P21554 2/20 0.36
CYP2D6 P10635 1/20 0.36
GHSR Q92847 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL27666132 0.78 KDM4E (0.49) KDM4EMLNRHTR6HTR1ADRD2
SCHEMBL2090808 0.76 SCD (0.54) KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2093724 0.74 KDM4E (0.44) KDM4EHTR6HTR1ADRD2HTR2A
SCHEMBL2095323 0.74 NPY2R (0.41) HTR1ADRD2HTR2A
SCHEMBL2011928 0.73 MLNR (0.53) KDM4EMLNRMAPTCYP1A2CYP3A4
SCHEMBL2092946 0.73 KDM4E (0.49) KDM4EMLNRHTR1AMAPT
SCHEMBL27666127 0.72 HTR1A (0.46) HTR1ADRD2CHRM4CNR2
SCHEMBL5542321 0.71 KDM4E (0.58) KDM4EMLNRMAPTCYP1A2CYP3A4
SCHEMBL18279994 0.71 KDM4E (0.54) KDM4EMLNRMAPTCYP3A4CYP2D6
SCHEMBL2089228 0.70 MLNR (0.41) MLNRDRD2CYP3A4CYP2D6GHSR

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 KDM4E 4578/4885MLNR 1040/4885HTR6 3530/4885

“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.