SCHEMBL2089342

SCHEMBL2089342

COc1ccccc1Oc1cccc(-c2ccccc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.50
AR P10275 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
TP53 P04637 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL2096090 0.90 PGR (0.47) PGRARALDH1A1MAPK1HDAC4
SCHEMBL2090081 0.89 HDAC4 (0.54) PGRARALDH1A1MAPK1HDAC4
SCHEMBL3362978 0.84 HDAC4 (0.62) PGRARALDH1A1HDAC4HDAC8
SCHEMBL2089339 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1HTTL3MBTL1CA1
SCHEMBL2097501 0.81 HDAC4 (0.43) PGRARALDH1A1MAPK1HDAC4
SCHEMBL7038166 0.80 ALDH1A1 (0.59) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL9414208 0.80 HTR7 (0.55) ALDH1A1TP53TSHRHPGDCYP3A4
SCHEMBL9040521 0.77 ALDH1A1 (0.59) ARALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5849737 0.75 CYP1A1 (0.65) MAPK1HTTL3MBTL1HDAC4HDAC8
SCHEMBL13791510 0.75 MAPK1 (0.65) ALDH1A1MAPK1HTTL3MBTL1CA1

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 3 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

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 PGR 2305/4885AR 476/4885ALDH1A1 412/4885

“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.