SCHEMBL2093374

SCHEMBL2093374

COc1c(OC)c(OC)c(Oc2ccc(-c3cccc([O])c3)cc2)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39

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
SCHEMBL2097711 0.87 ABL1 (0.44) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2091422 0.84 ABL1 (0.49) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2090897 0.82 SMN1; SMN2 (0.56) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2093379 0.80 HSD17B1 (0.57) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2098031 0.73 LTA4H (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11898508 0.73 HSD17B1 (0.43) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL27399871 0.72 ABL1 (0.74) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL2089765 0.72 SCN5A (0.44) ABL1BCRALDH1A1MAPK1KDM4E
SCHEMBL9937753 0.71 MAOA (0.48) HDAC4HDAC2HDAC8CYP3A4CYP2C9
SCHEMBL2095169 0.71 RXRA (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1FFAR4

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 ABL1 2379/4885ABCB1 2232/4885BCR 624/4885

“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.