SCHEMBL2089543

SCHEMBL2089543

[CH2]Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NOTUM Q6P988 2/20 0.40
GAA P10253 2/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.38
CYP11B2 P19099 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2095116 0.98 HRH3 (0.45) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL6704196 0.82 HAO1 (0.59) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL6275125 0.81 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL15260520 0.81 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL42782 0.81 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL28584923 0.81 HDAC8 (0.52) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL19615123 0.79 HRH3 (0.48) HAO1HRH3KCNH2SMN1; SMN2ESR2
SCHEMBL1992931 0.78 ALDH1A1 (0.59) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL1990897 0.78 ALDH1A1 (0.59) HAO1HRH3KCNH2MAPTSMN1; SMN2
SCHEMBL19034252 0.78 HAO1 (0.56) HAO1HRH3KCNH2MAPTSMN1; SMN2

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 HAO1 1261/4885HRH3 538/4885KCNH2 3121/4885

“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.