SCHEMBL2095733

SCHEMBL2095733

Oc1cccc(Oc2ccccc2)c1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.50
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
PKM P14618 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CASP1 P29466 1/20 0.37
KDM1A O60341 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL2095730 0.81 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3PKM
SCHEMBL4608027 0.79 ABCB1 (0.55) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL7531576 0.77 HDAC4 (0.50) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL6004412 0.77 HDAC4 (0.50) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL5480007 0.77 ABCB1 (0.53) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL3169205 0.75 HDAC4 (0.52) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL7598684 0.75 HTR1A (0.70) HTR1ASLC6A2SLC6A4SLC6A3PKM
SCHEMBL2095683 0.74 SLC6A2 (0.48) HTR1ASLC6A2SLC6A4SLC6A3PKM
SCHEMBL8151002 0.73 ALDH1A1 (0.50) GAAHDAC4HDAC2HDAC8
Water SCHEMBL27641338 0.73 HDAC4 (0.50) ESR1ESR2HDAC4HDAC2HDAC8

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 HTR1A 3561/4885SLC6A2 3591/4885SLC6A4 4365/4885

“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.