SCHEMBL2098529

SCHEMBL2098529

Clc1cc(Cl)cc(CN2CCC[N]CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CXCR4 P61073 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
PRMT6 Q96LA8 1/20 0.38
HTT P42858 1/20 0.38
KAT2B Q92831 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
SCHEMBL2091772 0.93 L3MBTL1 (0.61) L3MBTL1ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2091710 0.85 POLB (0.47) L3MBTL1ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2088672 0.84 ALDH1A1 (0.67) L3MBTL1ALDH1A1KDM4ECXCR4HRH3
SCHEMBL2098145 0.84 SIGMAR1 (0.64) L3MBTL1ALDH1A1KDM4ESIGMAR1SMN1; SMN2
SCHEMBL18007045 0.83 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4ECXCR4HRH3
SCHEMBL28242435 0.81 ALDH1A1 (0.67) L3MBTL1ALDH1A1KDM4EHRH3POLB
SCHEMBL2094810 0.79 POLB (0.71) ALDH1A1KDM4EHRH3SIGMAR1POLB
SCHEMBL42218 0.79 SIGMAR1 (0.61) ALDH1A1HRH3SIGMAR1POLBPRMT6
SCHEMBL2090925 0.77 POLB (0.44) L3MBTL1ALDH1A1KDM4EHRH3SIGMAR1
SCHEMBL2095383 0.76 ALDH1A1 (0.54) L3MBTL1ALDH1A1KDM4ECXCR4HRH3

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 L3MBTL1 2575/4885ALDH1A1 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.