SCHEMBL2094797

SCHEMBL2094797

COc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.56
▸ TSHR P16473 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
▸ TUBA1A Q71U36 2/20 0.49
▸ TUBA1C Q9BQE3 2/20 0.49
▸ TUBB6 Q9BUF5 2/20 0.49
▸ TUBB2B Q9BVA1 2/20 0.49
▸ TUBB1 Q9H4B7 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL10420801 0.83 KDM4E (0.54) LTA4HALDH1A1HTTTTRMEN1
SCHEMBL4596133 0.79 MAPK1 (0.59) LTA4HTSHRTUBB4ATUBBTUBA3C
SCHEMBL18538550 0.79 LTA4H (0.56) LTA4HTSHRALDH1A1MAPK1HTT
SCHEMBL2094795 0.79 LTA4H (0.50) LTA4HTSHRTTRMEN1NPC1
SCHEMBL9770386 0.79 LTA4H (0.60) LTA4HTSHRTTRMEN1KMT2A
SCHEMBL18415521 0.78 LTA4H (0.73) LTA4HTSHRALDH1A1HTTCA4
SCHEMBL25189918 0.78 LTA4H (0.54) LTA4HTSHRTUBB4ATUBBTUBA3C
SCHEMBL2099937 0.78 ALDH1A1 (0.63) LTA4HTSHRTUBB4ATUBBTUBA3C
SCHEMBL27526108 0.78 LTA4H (0.54) LTA4HTSHRTUBB4ATUBBTUBA3C
SCHEMBL25181912 0.78 LTA4H (0.54) LTA4HTSHRTUBB4ATUBBTUBA3C

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 LTA4H 3093/4885TSHR 162/4885TUBB4A 965/4885

“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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