SCHEMBL2098121

SCHEMBL2098121

[CH2]OC(=O)N(c1ccccc1)c1cccc(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PTGIR P43119 6/20 0.42
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 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
SCHEMBL2098123 0.87 ESR1 (0.43) ESR1ESR2PTGIRATMTDP1
SCHEMBL2095981 0.83 ESR1 (0.48) ESR1ESR2PTGIRATMTDP1
SCHEMBL2095980 0.82 ESR1 (0.47) ESR1ESR2PTGIRATMTDP1
SCHEMBL6002286 0.76 L3MBTL1 (0.61) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2090910 0.74 PTGIR (0.59) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2092800 0.74 TDP1 (0.43) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2089002 0.74 ATM (0.40) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2092938 0.73 PTGIR (0.52) PTGIRATMTDP1L3MBTL1NPSR1
SCHEMBL2093369 0.72 ATM (0.41) ESR1ESR2PTGIRATMTDP1
SCHEMBL5058365 0.71 PTGIR (0.50) ESR1ESR2PTGIRATMTDP1

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 338/4885PTGIR 1605/4885

“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.