SCHEMBL2091194

SCHEMBL2091194

[CH2]COCc1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
HTR1D P28221 1/20 0.32
SCN4A P35499 3/20 0.31
LMNA P02545 2/20 0.31
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31

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
SCHEMBL865078 0.85 CYP1A2 (0.41) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17055828 0.79 SLC22A12 (0.37) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8997706 0.77 HRH3 (0.34) HTR1D
SCHEMBL6580294 0.77 ALDH1A1 (0.36) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16241899 0.76 SLC22A12 (0.38) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3157124 0.76 MAOB (0.46) TSHRACHETAAR1LMNA
SCHEMBL3147889 0.74 SLC22A12 (0.34) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21518167 0.74 TAAR1 (0.38) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8750400 0.73 CYP1A2 (0.39) SLC22A12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3148086 0.73 SMN1; SMN2 (0.46) ALDH1A1ACHETAAR1

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 SLC22A12 2107/4885CYP1A2 420/4885CYP3A4 1734/4885

“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.