SCHEMBL2095235

SCHEMBL2095235

COC=CCc1c(C)cccc1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.31
AR P10275 1/20 0.30
HTR1D P28221 1/20 0.30

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
SCHEMBL9222448 0.76 CYP2A6 (0.42) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL1611739 0.74 CYP2A6 (0.40) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL625599 0.70 MAOB (0.61) ALDH1A1CA1CA2TSHRIDO1
SCHEMBL1781025 0.70 MAOB (0.61) ALDH1A1CA1CA2TSHRIDO1
SCHEMBL3113209 0.69 CYP2A6 (0.43) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL1235826 0.69 MAPT (0.44) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL2561047 0.69 CYP2A6 (0.43) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL1781780 0.68 AGXT (0.45) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL5021265 0.68 AGXT (0.45) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL11058993 0.68 MAPT (0.34) CYP1A2TAAR1TSHR

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 CYP2A6 1153/4885CYP1A2 420/4885ALDH1A1 412/4885

“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.