SCHEMBL2095358

SCHEMBL2095358

Cc1cnc(C[O])c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
AGXT P21549 1/20 0.36
AGBL2 Q5U5Z8 2/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL27400778 0.80 HSP90AA1 (0.44) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL22820306 0.78 CCR1 (0.39) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL17434548 0.77 AGXT (0.64) HSP90AA1HSP90AB1AGXT
SCHEMBL9828008 0.76 HSP90AA1 (0.39) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL14366752 0.76 AGXT (0.40) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL3396036 0.76 CCR1 (0.38) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL1758565 0.76 AGXT (0.40) HSP90AA1HSP90AB1CCR1CCR5CCR8
Hydrochloric Acid SCHEMBL189901 0.74 HSP90AA1 (0.38) HSP90AA1HSP90AB1CCR1CCR5CCR8
SCHEMBL27321413 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL27562249 0.71 CCR1 (0.34) HSP90AA1HSP90AB1CCR1CCR5CCR8

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 HSP90AA1 2576/4885HSP90AB1 2036/4885CCR1 890/4885

“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.