SCHEMBL2090299

SCHEMBL2090299

[CH2]OCc1nnnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.49
ALDH1A1 P00352 9/20 0.45
LMNA P02545 4/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
PRMT1 Q99873 2/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NOTUM Q6P988 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 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
SCHEMBL2090301 0.85 ALDH1A1 (0.47) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL2094441 0.83 PRMT1 (0.56) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL2095298 0.81 HTT (0.71) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL25245135 0.80 LMNA (0.44) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL2090294 0.80 ALDH1A1 (0.65) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL324352 0.80 ALDH1A1 (0.64) PKMHTTNLRP3ALDH1A1LMNA
SCHEMBL15179403 0.74 ALDH1A1 (0.56) HTTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL15168454 0.74 ALDH1A1 (0.60) HTTALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL15169039 0.73 LMNA (0.49) ALDH1A1LMNAL3MBTL1NPSR1PRMT1
SCHEMBL25236543 0.73 LMNA (0.57) LMNAMAPT

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 PKM 3041/4885HTT 4689/4885NLRP3 1659/4885

“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.