SCHEMBL2091091

SCHEMBL2091091

[CH2]c1ccc(-c2cc(OC)ccc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
SYK P43405 1/20 0.49
DHFR P00374 1/20 0.48
TDP2 O95551 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NAAA Q02083 1/20 0.45
BACE1 P56817 1/20 0.45
PIM1 P11309 1/20 0.45

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
SCHEMBL29899709 0.90 CA12 (0.60) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL6163752 0.88 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL2096959 0.85 CYP1A1 (0.62) ALDH1A1CA12CA1CA2CA7
SCHEMBL1045967 0.83 ACHE (0.52) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8501330 0.81 L3MBTL1 (0.60) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL2783622 0.81 DHFR (0.55) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL27700749 0.81 ESR2 (0.59) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8503322 0.81 CA12 (0.65) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL29572032 0.81 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL835688 0.81 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10CA12

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 412/4885KDM4E 4578/4885HPGD 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.