SCHEMBL2090486

SCHEMBL2090486

[CH2]c1cccc(Oc2cc(OC)c(OC)cc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTR P02766 3/20 0.40
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 1/20 0.36

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
SCHEMBL5537743 0.87 ALDH1A1 (0.59) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5546490 0.86 CA12 (0.55) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5544319 0.84 MAPK1 (0.42) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL10549866 0.80 SMN1; SMN2 (0.58) ALDH1A1MAPK1KDM4EPOLBSMN1; SMN2
SCHEMBL6830550 0.79
SCHEMBL27838 0.79
SCHEMBL3085815 0.78 LTA4H (0.59) ALDH1A1HTTKDM4ESMN1; SMN2CA12
SCHEMBL27592616 0.77 ACHE (0.54) ALDH1A1MAPK1SMN1; SMN2CA1CA2
SCHEMBL27583381 0.77 ACHE (0.54) ALDH1A1MAPK1SMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL28516238 0.77 ACHE (0.54) ALDH1A1SMN1; SMN2CA1CA2CA7

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 4 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
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 AR 476/4885ALDH1A1 412/4885MAPK1 2105/4885

“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.