SCHEMBL2090732

SCHEMBL2090732

CCc1cccc(OC2CCCC[N]2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SOD1 P00441 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
EED O75530 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL3168321 0.81 SLC6A2 (0.47) ALDH1A1KDM4ESLC6A2SLC6A4LMNA
SCHEMBL11941056 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL16404861 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL1828238 0.76 HRH1 (0.40) ALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL20064585 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL18019002 0.75 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL11070013 0.75 HRH1 (0.39) SMN1; SMN2ALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL3169192 0.74 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL2088834 0.74 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1
SCHEMBL2092850 0.72 TAS1R3 (0.32) SLC6A2SLC6A4

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 SMN1; SMN2 3787/4885ALDH1A1 412/4885KDM4E 4578/4885

“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.