SCHEMBL2094445

SCHEMBL2094445

COCc1nnnn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.59
ALDH1A1 P00352 4/20 0.51
PKM P14618 2/20 0.47
HTT P42858 2/20 0.47
NLRP3 Q96P20 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
RXRA P19793 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2B Q13224 4/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
GAA P10253 1/20 0.40
SLC5A1 P13866 1/20 0.39

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
SCHEMBL2094441 0.86 PRMT1 (0.56) PRMT1ALDH1A1PKMHTTNLRP3
SCHEMBL2056316 0.86 PRMT1 (0.61) PRMT1ALDH1A1PKMHTTNLRP3
SCHEMBL2090301 0.83 ALDH1A1 (0.47) PRMT1ALDH1A1PKMHTTNLRP3
SCHEMBL2090296 0.78 ALDH1A1 (0.61) ALDH1A1PKMHTTNLRP3L3MBTL1
SCHEMBL2095302 0.77 PKM (0.69) ALDH1A1PKMHTTNLRP3L3MBTL1
SCHEMBL2094443 0.75 PRMT1 (0.47) PRMT1ALDH1A1HTTL3MBTL1SLC5A1
SCHEMBL8345203 0.75 PRMT1 (0.49) PRMT1HTTL3MBTL1KMT2ARXRA
SCHEMBL30620392 0.75 PRMT1 (0.49) PRMT1ALDH1A1HTTL3MBTL1RXRA
SCHEMBL10237974 0.75 CYP1A2 (0.66) PRMT1ALDH1A1HTTL3MBTL1LMNA
SCHEMBL5742037 0.74 ALDH1A1 (0.57) PRMT1ALDH1A1HTTL3MBTL1LMNA

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 3 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

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 781/4885ALDH1A1 412/4885PKM 3041/4885

“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.