SCHEMBL2097582

SCHEMBL2097582

Oc1ccc2nc(Oc3cc(Cl)c(Cl)c(Cl)c3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ESR2 Q92731 7/20 0.41
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 3/20 0.36
HSP90AA1 P07900 1/20 0.36
PLA2G10 O15496 1/20 0.35
CYP1A2 P05177 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
CYP3A4 P08684 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL3317035 0.83 HTT (0.45) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL2097579 0.82 PDE4B (0.33) HPGDKDM4EALDH1A1CYP1A2MCL1
SCHEMBL3665193 0.82 ESR2 (0.53) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL3316262 0.80 ALDH1A1 (0.61) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL2092811 0.79 KDM4E (0.50) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL3318792 0.79 CAMK2A (0.42) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL2094769 0.78 MAPK3 (0.40) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL10984153 0.77 HTT (0.42) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL2093017 0.72 ESR2 (0.44) ESR1ESR2HSD17B10HPGDKDM4E
SCHEMBL1238150 0.72 ESR1 (0.50) ESR1ESR2HSD17B10HPGDKDM4E

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 ESR1 1871/4885ESR2 338/4885HSD17B10 363/4885

“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.