SCHEMBL2098145

SCHEMBL2098145

Clc1cccc(CN2CCC[N]CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
ATM Q13315 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PRMT6 Q96LA8 1/20 0.51
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL2091047 0.94 SIGMAR1 (0.72) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL29668629 0.85 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL20238106 0.85 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL3169406 0.85 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL29447340 0.85 SIGMAR1 (0.79) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL9398460 0.85 SIGMAR1 (0.58) SIGMAR1
SCHEMBL2098529 0.84 L3MBTL1 (0.54) SIGMAR1ALDH1A1KDM4EHTTL3MBTL1
SCHEMBL1890670 0.84 SIGMAR1 (0.77) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL5732659 0.84 SIGMAR1 (0.77) SIGMAR1ALDH1A1KDM4EMAPTATM
SCHEMBL29447362 0.84 SIGMAR1 (0.77) SIGMAR1ALDH1A1KDM4EMAPTATM

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 SIGMAR1 161/4885ALDH1A1 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.