SCHEMBL2094443

SCHEMBL2094443

CO[CH]c1nnnn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
NPBWR1 P48145 2/20 0.39
MCHR1 Q99705 2/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA2D1 P54289 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL2095301 0.77 ALDH1A1 (0.51) KDM4EMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2094445 0.75 PRMT1 (0.59) PRMT1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL30620392 0.75 PRMT1 (0.49) PRMT1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL8345203 0.75 PRMT1 (0.49) PRMT1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL2056316 0.74 PRMT1 (0.61) PRMT1L3MBTL1HTTALDH1A1POLB
SCHEMBL18031144 0.71 ALDH1A1 (0.53) PRMT1L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2094441 0.69 PRMT1 (0.56) PRMT1L3MBTL1HTTALDH1A1SLC5A1
SCHEMBL18031622 0.69 PTGS2 (0.47) PRMT1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL4212269 0.68 ALDH1A1 (0.43) PRMT1L3MBTL1KDM4EMAPTCYP1A2
SCHEMBL4202368 0.67 LMNA (0.48) PRMT1L3MBTL1KDM4EMAPTCYP1A2

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 PRMT1 781/4885L3MBTL1 2575/4885KDM4E 4578/4885

“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.