SCHEMBL1047640

SCHEMBL1047640

OCc1cccc(OC(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GRIN2B Q13224 3/20 0.37
GRIN1 Q05586 1/20 0.37
SCN9A Q15858 1/20 0.36
SLC6A3 Q01959 5/20 0.36
DRD2 P14416 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 3/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PDK2 Q15119 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
VNN1 O95497 1/20 0.34
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1047639 0.82 KDM4E (0.38) KDM4EGRIN2BGRIN1SLC6A3DRD2
SCHEMBL364462 0.81 GRIN2B (0.47) GRIN2BGRIN1SCN9ASLC6A3DRD2
SCHEMBL16951797 0.80 PDK2 (0.42) KDM4EPDK2
SCHEMBL29875817 0.80 MPL (0.41) KDM4EGRIN2BGRIN1SCN9ASLC6A3
SCHEMBL2716488 0.80 MPL (0.41) KDM4EGRIN2BGRIN1SCN9ASLC6A3
SCHEMBL16951131 0.80 GRIN2B (0.38) KDM4EGRIN2BGRIN1SCN9ASLC6A3
SCHEMBL16955194 0.79 L3MBTL1 (0.42) PDK2
SCHEMBL16956124 0.79 HDAC3 (0.38) KDM4EGRIN2BGRIN1SCN9ASLC6A3
SCHEMBL16950785 0.79 P2RX7 (0.43) KDM4EGRIN2BGRIN1SCN9ASLC6A3
SCHEMBL16956636 0.79 PDCD1 (0.44) KDM4EGRIN2BGRIN1SCN9ASLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 2723/4885GRIN2B 4554/4885GRIN1 3787/4885

“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.