SCHEMBL2093841

SCHEMBL2093841

FC(F)(F)Oc1ccc(NC2CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR2 O43603 1/20 0.46
▸ GALR1 P47211 1/20 0.46
▸ EPHX2 P34913 8/20 0.46
▸ EPHX1 P07099 4/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ SYK P43405 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GABBR2 O75899 1/20 0.42
▸ GABBR1 Q9UBS5 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ ROCK2 O75116 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
SCHEMBL2172826 0.88 EPHX2 (0.51) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL2093418 0.88 GALR2 (0.37) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL14916657 0.85 EPHX2 (0.56) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL2089441 0.82 GALR2 (0.48) GALR2GALR1EPHX2CTSLCTSB
SCHEMBL12953404 0.81 EPHX2 (0.56) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL5536264 0.81 EPHX1 (0.64) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL12953129 0.79 EPHX2 (0.58) GALR2GALR1EPHX2EPHX1SYK
Hydrochloric Acid SCHEMBL411544 0.79 EPHX1 (0.63) GALR2GALR1EPHX2EPHX1CTSL
SCHEMBL2089051 0.78 CTSS (0.43) EPHX2CTSSCTSKGABBR2GABBR1
SCHEMBL3121134 0.78 ALDH1A1 (0.49) GALR2GALR1EPHX2EPHX1CTSL

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 GALR2 1641/4885GALR1 1561/4885EPHX2 3472/4885

“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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