SCHEMBL2093017

SCHEMBL2093017

Oc1ccc2nc(Oc3c(F)c(F)c(F)c(F)c3F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.44
ESR1 P03372 6/20 0.44
HSD17B14 Q9BPX1 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TTR P02766 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PFKFB3 Q16875 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE7A Q13946 1/20 0.32
APP P05067 1/20 0.32
SULT1A1 P50225 1/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL3665193 0.84 ESR2 (0.53) ESR2ESR1HSD17B14ALDH1A1HSD17B10
SCHEMBL2093014 0.81 BACE1 (0.32) PDE1APDE1BPDE4BPDE7ABACE1
SCHEMBL3318792 0.78 CAMK2A (0.42) ESR2ESR1ALDH1A1HSD17B10TTR
SCHEMBL3315093 0.76 TSHR (0.42) ESR2ESR1ALDH1A1HSD17B10TTR
SCHEMBL3316262 0.75 ALDH1A1 (0.61) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL29768705 0.74 ESR1 (0.50) ESR2ESR1HSD17B14ALDH1A1HSD17B10
SCHEMBL1238150 0.74 ESR1 (0.50) ESR2ESR1HSD17B14ALDH1A1HSD17B10
SCHEMBL21865479 0.73 ESR2 (0.46) ESR2ESR1HSD17B14ALDH1A1HSD17B10
SCHEMBL10940330 0.73 BACE1 (0.45) ESR2ESR1ALDH1A1HSD17B10KDM4E
SCHEMBL3317035 0.73 HTT (0.45) ESR2ESR1ALDH1A1HSD17B10KDM4E

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 ESR2 338/4885ESR1 1871/4885HSD17B14 1121/4885

“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.