SCHEMBL2094512

SCHEMBL2094512

COCC(C)C1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
GID4 Q8IVV7 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 2/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5549328 0.83 IDO1 (0.44) IDO1SIGMAR1ALDH1A1XBP1HTT
SCHEMBL2995057 0.80 SIGMAR1 (0.46) SIGMAR1
SCHEMBL3000155 0.79 IDO1 (0.49) IDO1GID4
SCHEMBL3296406 0.79 IDO1 (0.49) IDO1GID4
SCHEMBL8735161 0.78 IDO1 (0.49) IDO1GID4TSHR
SCHEMBL12124928 0.76 FFAR1 (0.45) IDO1GID4SIGMAR1ALDH1A1XBP1
SCHEMBL15540606 0.76 IDO1 (0.50) IDO1GID4
SCHEMBL4081534 0.76 IDO1 (0.46) IDO1GID4TSHR
SCHEMBL13006752 0.76 IDO1 (0.50) IDO1GID4
Hydrogen Peroxide SCHEMBL9456544 0.76 IDO1 (0.46) IDO1ALDH1A1XBP1HTTTSHR

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 IDO1 2665/4885GID4 3826/4885SIGMAR1 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.