SCHEMBL2093585

SCHEMBL2093585

CO[CH]C(=O)Nc1c(C)cc(C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ CISD2 Q8N5K1 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.40

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
SCHEMBL6455411 0.79 ALDH1A1 (0.57) ALDH1A1KMT2ALMNANLRP3HPGD
SCHEMBL1022819 0.77 ALDH1A1 (0.55) ALDH1A1KMT2ALMNANLRP3HPGD
SCHEMBL2089479 0.76 NLRP3 (0.59) ALDH1A1KMT2ALMNAPKMNLRP3
SCHEMBL6885772 0.74 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAPKMHPGD
SCHEMBL6885764 0.74 ALDH1A1 (0.79) ALDH1A1KMT2ALMNAPKMHPGD
SCHEMBL18415468 0.73 ALDH1A1 (0.87) ALDH1A1KMT2ALMNAPKMNLRP3
SCHEMBL4448022 0.73 ALDH1A1 (0.65) ALDH1A1KMT2ALMNANLRP3HPGD
SCHEMBL2094230 0.73 ALDH1A1 (0.65) ALDH1A1KMT2ALMNAPKMNLRP3
SCHEMBL18415604 0.73 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAPKMNLRP3
SCHEMBL28100786 0.73 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAPKMNLRP3

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 ALDH1A1 412/4885KMT2A 3324/4885LMNA 4594/4885

“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.

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