SCHEMBL2094047

SCHEMBL2094047

Cn1cnc2cc([O])ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ GRM5 P41594 1/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ NPC1 O15118 10/20 0.47
▸ RAB9A P51151 10/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ TP53 P04637 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GFER P55789 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ NAMPT P43490 1/20 0.43

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
SCHEMBL434799 0.78 NPC1 (0.58) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL6761540 0.76 GRM5 (0.51) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL16132873 0.76 GRM5 (0.51) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL212673 0.76 MAPT (0.61) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL1496402 0.76 FGFR1 (0.54) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL4814996 0.76 GRM5 (0.51) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL4741698 0.76 NPC1 (0.59) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL541566 0.76 HDAC1 (0.58) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL19267535 0.75 CHRNB2 (0.52) ALDH1A1MAPTGRM5KMT2AHDAC1
SCHEMBL11098353 0.74 GRM5 (0.50) ALDH1A1MAPTGRM5KMT2AHDAC1

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 ALDH1A1 412/4885MAPT 4299/4885GRM5 511/4885

“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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