SCHEMBL2096517

SCHEMBL2096517

C[C@]1(COc2ccc(N3CCC(Cc4ccc(Cl)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
PTGS1 P23219 1/20 0.65
KCNH2 Q12809 6/20 0.58
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
ENPP2 Q13822 1/20 0.37
MAPT P10636 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD4 P21917 1/20 0.33
GALR3 O60755 1/20 0.33
DEGS1 O15121 1/20 0.33
RPS6KB1 P23443 1/20 0.33

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
SCHEMBL2096522 1.00 SLC6A2 (0.65) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1044736 0.92 PTGS1 (0.67) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1044734 0.92 PTGS1 (0.67) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1079472 0.92 PTGS1 (0.67) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1045983 0.92 PTGS1 (0.63) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1045631 0.92 PTGS1 (0.63) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL1045632 0.92 PTGS1 (0.63) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL5547591 0.90 KCNH2 (0.68) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL5546516 0.90 KCNH2 (0.68) SLC6A2SLC6A4PTGS1KCNH2CACNA1C
SCHEMBL5542718 0.90 KCNH2 (0.68) SLC6A2SLC6A4PTGS1KCNH2CACNA1C

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 3 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

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 SLC6A2 3591/4885SLC6A4 4365/4885PTGS1 2872/4885

“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.