SCHEMBL2094769

SCHEMBL2094769

Oc1ccc2nc(Oc3cccc(Cl)c3Cl)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
MAP4K4 O95819 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TTR P02766 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.35
RHEB Q15382 1/20 0.35
CAMK2A Q9UQM7 2/20 0.34

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
SCHEMBL3318792 0.84 CAMK2A (0.42) ALDH1A1NPSR1KDM4EHPGDESR1
SCHEMBL2094766 0.83 ALDH1A1 (0.41) MAPK3MAPK1PTPN11ALDH1A1NPSR1
SCHEMBL2097582 0.78 ESR1 (0.41) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL3665193 0.78 ESR2 (0.53) ALDH1A1KDM4EHPGDESR1ESR2
SCHEMBL3314874 0.77 KMT2A (0.44) MAPK1ALDH1A1KDM4EHPGDESR1
SCHEMBL3315093 0.76 TSHR (0.42) MAPK1ALDH1A1KDM4EHPGDESR1
SCHEMBL27666038 0.75 ALDH1A1 (0.38) MAPK3MAPK1PTPN11ALDH1A1NPSR1
SCHEMBL3317035 0.74 HTT (0.45) MAPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL3316262 0.73 ALDH1A1 (0.61) MAPK1ALDH1A1NPSR1KDM4EHPGD
SCHEMBL22926817 0.71 MAP4K4 (0.56) ALDH1A1KDM4EATMMAP4K4HTT

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 MAPK3 2245/4885MAPK1 2105/4885PTPN11 1696/4885

“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.