SCHEMBL2093537

SCHEMBL2093537

CCOCCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2A6 P11509 1/20 0.57
SIGMAR1 Q99720 3/20 0.50
HRH3 Q9Y5N1 3/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A4 P31645 1/20 0.41
BCHE P06276 2/20 0.41

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
SCHEMBL29546077 0.88 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL869422 0.88 CYP1A2 (0.54) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL11050149 0.87 CYP1A2 (0.55) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL25754255 0.84 CYP1A2 (0.55) CYP1A2CYP2A6SIGMAR1HTR2AHTR2C
SCHEMBL16594922 0.82 KDM4E (0.49) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL16594736 0.82 KDM4E (0.49) CYP1A2CYP2A6SIGMAR1HRH3HTR2A
SCHEMBL16594921 0.82 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1HTR2AHTR2C
SCHEMBL25753182 0.82 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1HTR2AHTR2C
SCHEMBL16594734 0.82 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1HTR2AHTR2C
SCHEMBL19509057 0.81 CYP1A2 (0.47) CYP1A2CYP2A6SIGMAR1HRH3HTR2A

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 4 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
US-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 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 CYP1A2 420/4885CYP2A6 1153/4885SIGMAR1 161/4885

“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.