SCHEMBL2096780

SCHEMBL2096780

[CH2]COCC=Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
LY96 Q9Y6Y9 1/20 0.36
BCHE P06276 1/20 0.34
CHRNA7 P36544 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
IKBKB O14920 1/20 0.31
DYRK2 Q92630 1/20 0.31
EGFR P00533 2/20 0.30
ATM Q13315 1/20 0.30
ERBB2 P04626 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL2096779 1.00 HSD11B1 (0.42) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL431986 0.89 HSD11B1 (0.47) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL5704312 0.89 HSD11B1 (0.47) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL18260247 0.78 LY96 (0.45) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL18260248 0.78 LY96 (0.45) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL28950528 0.76 HSD11B1 (0.46) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL2095766 0.75 NFKB1 (0.46) KMT2AMEN1RAB9A
SCHEMBL2095763 0.75 NFKB1 (0.46) KMT2AMEN1RAB9A
SCHEMBL5546732 0.74 HSD11B1 (0.44) HSD11B1LY96BCHECHRNA7KMT2A
SCHEMBL5546727 0.74 HSD11B1 (0.44) HSD11B1LY96BCHECHRNA7KMT2A

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 HSD11B1 773/4885LY96 1442/4885BCHE 4823/4885

“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.