SCHEMBL5543797

SCHEMBL5543797

COc1cc(OC)c(Oc2c[c]ccc2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 5/20 0.37
▸ TUBB P07437 5/20 0.37
▸ TUBA3C P0DPH7 5/20 0.37
▸ TUBA1B P68363 5/20 0.37
▸ TUBA4A P68366 5/20 0.37
▸ TUBB4B P68371 5/20 0.37
▸ TUBB3 Q13509 5/20 0.37
▸ TUBB2A Q13885 5/20 0.37
▸ TUBB8 Q3ZCM7 5/20 0.37
▸ TUBA3E Q6PEY2 5/20 0.37
▸ TUBA1A Q71U36 5/20 0.37
▸ TUBA1C Q9BQE3 5/20 0.37
▸ TUBB6 Q9BUF5 5/20 0.37
▸ TUBB2B Q9BVA1 5/20 0.37
▸ TUBB1 Q9H4B7 5/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL2753538 0.86 AR (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2753555 0.82 ALDH1A1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2097100 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2749051 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2090845 0.80 CA12 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2091132 0.79 CA12 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2699 0.78 — —
SCHEMBL920806 0.77 SMN1; SMN2 (0.53) CA1CA2CA7CA9CYP3A4
SCHEMBL921641 0.77 HTT (0.59) CA12CA1CA2CA7CA9
SCHEMBL919392 0.77 LTA4H (0.59) CA12CA1CA2CA7CA9

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TUBB4A 917/4885TUBB 446/4885TUBA3C 449/4885

“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