SCHEMBL2093106

SCHEMBL2093106

Cc1cccc(NC2CC[N]CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADRA2B P18089 2/20 0.42
▸ ADRA2C P18825 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ BRD4 O60885 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL2087914 0.86 MAPT (0.41) GAALMNAADRA2AADRA2BADRA2C
SCHEMBL15830210 0.79 GAA (0.44) GAALMNAALOX12RAPGEF4ADRA2A
SCHEMBL82566 0.79 BRD4 (0.55) GAALMNAALOX12RAPGEF4MAPT
Hydrochloric Acid SCHEMBL70439 0.78 HTR2C (0.54) GAALMNAALOX12RAPGEF4ADRA2A
SCHEMBL9312178 0.73 BRD4 (0.56) GAALMNAALOX12RAPGEF4BRD4
SCHEMBL3125795 0.73 SIGMAR1 (0.48) GAALMNAALDH1A1
SCHEMBL25010687 0.72 ALDH1A1 (0.55) MAPTALDH1A1BRD4RAB9A
SCHEMBL13801654 0.72 KDM4E (0.58) GAALMNAALOX12MAPTALDH1A1
SCHEMBL2094800 0.71 GAA (0.53) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL2092342 0.71 KMT2A (0.45) GAAADRA2AADRA2BADRA2CMAPT

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 GAA 3982/4885LMNA 4594/4885ALOX12 1886/4885

“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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