SCHEMBL2096583

SCHEMBL2096583

[CH2]CCCOCCc1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
DAO P14920 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 4/20 0.38
ALOX5 P09917 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL6001300 0.95 IDO1 (0.44) IDO1HDAC1HDAC8DAOSCN8A
SCHEMBL2095031 0.87 IDO1 (0.45) IDO1HDAC1HDAC8DAOSCN8A
SCHEMBL8727008 0.83 IDO1 (0.50) IDO1HDAC1HDAC8DAOSCN8A
SCHEMBL7504635 0.83 IDO1 (0.48) IDO1HDAC1HDAC8DAOGAA
SCHEMBL6002873 0.81 IDO1 (0.45) IDO1HDAC1HDAC8DAOSCN8A
SCHEMBL2094372 0.81 IDO1 (0.53) IDO1SCN8AMAOBSLC6A2SLC6A4
SCHEMBL838892 0.79 IDO1 (0.52) IDO1HDAC1HDAC8DAOGAA
SCHEMBL6003177 0.78 TAAR1 (0.47) IDO1DAOSCN8AMAOBSLC6A4
SCHEMBL3581243 0.75 EPHX2 (0.49) IDO1HDAC1HDAC8GAAMAOB
SCHEMBL17329111 0.74 IDO1 (0.59) IDO1HDAC1HDAC8DAOMAOB

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 IDO1 2665/4885HDAC1 280/4885HDAC8 1199/4885

“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.