SCHEMBL2093908

SCHEMBL2093908

[CH2]c1ccccc1Oc1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TRPA1 O75762 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 1/20 0.33
NFE2L2 Q16236 1/20 0.32
KDM1A O60341 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL5543492 0.81 TRPA1 (0.50) HSPB1TRPA1SLC6A2ALDH1A1L3MBTL1
SCHEMBL5536030 0.78 CYP1A2 (0.40) CYP1A2CYP2A6SLC6A2ALDH1A1L3MBTL1
SCHEMBL1339920 0.77 KDM4E (0.66) HSPB1KDM4EMAPTCRHBPCRHR2
SCHEMBL5541162 0.75 HTR1A (0.46) HSPB1KDM4ESLC6A2MEN1KMT2A
SCHEMBL3755349 0.74 ALDH1A1 (0.49) HSPB1MAPTCYP1A2SLC6A2MEN1
SCHEMBL7634253 0.73 CA1 (0.38) KDM4EMAPTCRHBPCRHR2MEN1
SCHEMBL5540892 0.73 SLC6A4 (0.37) KDM4EMAPTCRHBPCRHR2TRPA1
SCHEMBL1341142 0.70 HSPB1 (0.66) HSPB1MAPTMEN1KMT2AALDH1A1
SCHEMBL5541600 0.69 RHEB (0.35) KDM4EMAPTSLC6A2MEN1KMT2A
SCHEMBL5541956 0.69 MAPT (0.39) KDM4EMAPTCYP1A2CYP2A6MEN1

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 HSPB1 1921/4885KDM4E 4578/4885MAPT 4299/4885

“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.