SCHEMBL2096551

SCHEMBL2096551

COc1ccc(/C=C/C[C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GSK3B P49841 1/20 0.51
▸ F3 P13726 2/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ TUBB4A P04350 2/20 0.49
▸ TUBB P07437 2/20 0.49
▸ TUBA3C P0DPH7 2/20 0.49
▸ TUBA1B P68363 2/20 0.49
▸ TUBA4A P68366 2/20 0.49
▸ TUBB4B P68371 2/20 0.49
▸ TUBB3 Q13509 2/20 0.49
▸ TUBB2A Q13885 2/20 0.49
▸ TUBB8 Q3ZCM7 2/20 0.49
▸ TUBA3E Q6PEY2 2/20 0.49

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
SCHEMBL2096554 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4ELMNATP53
SCHEMBL6870383 0.83 KDM4E (0.53) ALDH1A1CYP3A4KDM4ELMNATP53
SCHEMBL6870385 0.83 KDM4E (0.53) ALDH1A1CYP3A4KDM4ELMNATP53
SCHEMBL7340994 0.82 RELA (0.56) ALDH1A1KDM4ETP53RELATUBB4A
SCHEMBL2090814 0.81 CYP1A1 (0.57) ALDH1A1CYP3A4KDM4ETSHRTUBB4A
SCHEMBL2090811 0.81 CYP1A1 (0.57) ALDH1A1CYP3A4KDM4ETSHRTUBB4A
SCHEMBL2096871 0.80 CHRM2 (0.58) CYP3A4RELATUBB4ATUBBTUBA3C
SCHEMBL2096869 0.80 CHRM2 (0.58) CYP3A4RELATUBB4ATUBBTUBA3C
SCHEMBL2090761 0.80 AHR (0.53) ALDH1A1CYP3A4KDM4ELMNATP53
SCHEMBL2096314 0.79 NFE2L2 (0.57) ALDH1A1KDM4ETSHRTUBB4ATUBB

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 412/4885CYP3A4 1734/4885KDM4E 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.

Send feedback