Sugi Predict

Sugi Predict / Compounds / SCHEMBL2095176

SCHEMBL2095176

SCHEMBL2095176

O=C1CC(=O)c2ccccc2[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CES1 P23141 3/20 0.39
▸ BCHE P06276 2/20 0.39
▸ MAOA P21397 6/20 0.37
▸ CYP19A1 P11511 4/20 0.35
▸ TNF P01375 2/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CDC25B P30305 2/20 0.35
▸ MAOB P27338 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ EHMT2 Q96KQ7 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL6305900 0.79 MAOA (0.48) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL124176 0.73 CYP1A2 (0.44) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL7256137 0.72 ALDH1A1 (0.38) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL7938811 0.71 ALDH1A1 (0.37) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL28496097 0.71 ALDH1A1 (0.37) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL1394908 0.71 KMT2A (0.39) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL6667756 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL88188 0.70 CES1 (0.52) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL29353628 0.70 CES1 (0.52) KDM4EALDH1A1HPGDCES1BCHE
SCHEMBL2995811 0.69 CA12 (0.52) HPGDMAPTCA9LMNA

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 4578/4885ALDH1A1 412/4885HPGD 1951/4885

“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.