SCHEMBL2099074

SCHEMBL2099074

FC(F)(F)C(F)(F)Oc1cccc(CN2CC[N]CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ TRPV6 Q9H1D0 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40

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
SCHEMBL2088838 0.95 ALDH1A1 (0.45) SIGMAR1MEN1KMT2AOPRM1KDM4E
SCHEMBL2094510 0.89 DRD4 (0.52) SIGMAR1MEN1KMT2AOPRM1KDM4E
SCHEMBL2090130 0.84 CHRM3 (0.48) SIGMAR1MEN1KMT2AOPRM1KDM4E
SCHEMBL2093785 0.83 ALDH1A1 (0.52) SIGMAR1KDM4EALDH1A1
SCHEMBL2200448 0.79 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2089800 0.78 ALDH1A1 (0.48) KDM4EALDH1A1
SCHEMBL5540624 0.78 DRD4 (0.52) SIGMAR1MEN1KMT2AOPRM1KDM4E
SCHEMBL5540629 0.78 DRD4 (0.56) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL2095998 0.77 ALDH1A1 (0.57) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7511407 0.76 HTR1A (0.57) SIGMAR1KDM4EALDH1A1TDP1HPGD

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 SIGMAR1 161/4885MEN1 4525/4885KMT2A 3324/4885

“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.

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