SCHEMBL2096085

SCHEMBL2096085

CCCC1(CCC)CCCc2cc(COC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.50
ESR1 P03372 5/20 0.50
KDM1A O60341 3/20 0.37
RXRB P28702 1/20 0.32
PDK2 Q15119 1/20 0.32
SIGMAR1 Q99720 4/20 0.31
RORC P51449 1/20 0.31
CETP P11597 1/20 0.31
NAMPT P43490 1/20 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
SCHEMBL2097038 0.83 ESR2 (0.52) ESR2ESR1SIGMAR1NAMPT
SCHEMBL2090014 0.82 ESR2 (0.44) ESR2ESR1KDM1APDK2SIGMAR1
SCHEMBL2095622 0.80 KDM1A (0.40) ESR2ESR1KDM1ARXRBPDK2
SCHEMBL2094667 0.75 RXRB (0.47) RXRBCETP
SCHEMBL5548497 0.72 SIGMAR1 (0.49) KDM1ASIGMAR1
SCHEMBL2093706 0.72 PDK2 (0.38) ESR2ESR1KDM1ARXRBPDK2
SCHEMBL10071548 0.69 RXRB (0.41) RXRBPDK2CETPNAMPT
SCHEMBL2090382 0.68 ESR2 (0.40) ESR2ESR1PDK2
SCHEMBL5547903 0.67 SIGMAR1 (0.47) KDM1ASIGMAR1
SCHEMBL8370095 0.67 KDM1A (0.52) KDM1ASIGMAR1

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 ESR2 338/4885ESR1 1871/4885KDM1A 3950/4885

“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.