SCHEMBL2096508

SCHEMBL2096508

CO[CH]c1csc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.52
MAPT P10636 4/20 0.48
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
TP53 P04637 4/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 1/20 0.40
KIF11 P52732 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL2090189 0.83 PIM1 (0.55) PIM1MAPTKDM4EPOLB
SCHEMBL2096526 0.81 MAPT (0.53) PIM1MAPTATP4AATP4BKDM4E
SCHEMBL2093566 0.80 MAPT (0.51) PIM1MAPTATP4AATP4BKDM4E
SCHEMBL2089805 0.80 MAPT (0.59) PIM1MAPTTP53KDM4EMEN1
SCHEMBL27645053 0.78 MAPT (0.49) PIM1MAPTKDM4ELTA4HPOLB
SCHEMBL28003170 0.77 CYP19A1 (0.47) PIM1MAPTATP4AATP4BTP53
SCHEMBL2307283 0.74 CYP2E1 (0.47) PIM1MAPTATP4AATP4BTP53
SCHEMBL2096509 0.73 TP53 (0.52) MAPTTP53KDM4ELMNAPOLB
SCHEMBL21479710 0.73 KDM4E (0.68) ATP4AATP4BKDM4EMEN1KMT2A
SCHEMBL21479711 0.72 KDM4E (0.68) MAPTATP4AATP4BTP53KDM4E

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 PIM1 3429/4885MAPT 4299/4885ATP4A 2458/4885

“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.