SCHEMBL2093620

SCHEMBL2093620

[CH2]c1cccc(-c2c(F)cccc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TRPA1 O75762 1/20 0.34
GRM5 P41594 1/20 0.34
MAPK14 Q16539 2/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
SRD5A1 P18405 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
ABL1 P00519 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL9565253 0.83 TTR (0.46) TTRALOX5APFEN1TRPA1GRM5
SCHEMBL5544975 0.82 DHODH (0.31)
SCHEMBL5540460 0.78 PTPRC (0.47) ALOX5APFEN1TRPA1NPC1RAB9A
SCHEMBL26570742 0.76 TAAR1 (0.50) TTRHSD17B1HSD17B2ESR2
SCHEMBL2093613 0.76 HSD17B1 (0.44) NPC1RAB9AHSD17B1HSD17B2ESR2
SCHEMBL2090551 0.76 HSD17B1 (0.37) HSD17B1HSD17B2ESR2
SCHEMBL29085773 0.75
SCHEMBL27775798 0.75 HSD17B1 (0.43) HSD17B1HSD17B2ABL1ESR1ESR2
SCHEMBL2095994 0.74 TAAR1 (0.54) HSD17B1HSD17B2ESR2
SCHEMBL4486299 0.73 AGXT (0.47) HSD17B1HSD17B2ESR1ESR2

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 TTR 4486/4885ALOX5AP 3526/4885FEN1 3521/4885

“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.