SCHEMBL2093612

SCHEMBL2093612

FC(F)(F)c1cccc(CN2CC[N]CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ GAA P10253 2/20 0.72
▸ LMNA P02545 2/20 0.65
▸ FAAH O00519 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CHRM3 P20309 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ PHGDH O43175 1/20 0.48
▸ TEAD1 P28347 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ OPRL1 P41146 1/20 0.48
▸ DRD4 P21917 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2096006 0.94 KDM4E (0.74) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL2095998 0.89 ALDH1A1 (0.57) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4244138 0.85 ALDH1A1 (0.97) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL2093118 0.84 ALDH1A1 (0.59) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4235961 0.84 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL30341002 0.84 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL5544345 0.83 CYP2D6 (0.55) KDM4EALDH1A1GAALMNACYP3A4
SCHEMBL5577937 0.83 KDM4E (0.74) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4240373 0.81 ALDH1A1 (0.72) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL1761029 0.81 ALDH1A1 (0.72) KDM4EALDH1A1GAALMNAFAAH

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 KDM4E 4578/4885ALDH1A1 412/4885GAA 3982/4885

“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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