SCHEMBL4859653

SCHEMBL4859653

O=C(OS(=O)(=O)C(F)(F)F)c1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CNR2 P34972 3/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KDM4C Q9H3R0 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4304080 0.78 SMN1; SMN2 (0.57) MGAMKDM4ESMN1; SMN2CNR2HTT
Trifluoroacetic Acid SCHEMBL28462831 0.77 MGAM (0.54) MGAMKDM4ESMN1; SMN2CNR2HTT
SCHEMBL4606005 0.76 MGAM (0.61) MGAMKDM4ESMN1; SMN2CNR2HTT
SCHEMBL2991023 0.76 MEN1 (0.42) KDM4ESMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL3396288 0.76 MGAM (0.53) MGAMKDM4ESMN1; SMN2CNR2HTT
SCHEMBL3954441 0.76 MGAM (0.66) MGAMKDM4ESMN1; SMN2CNR2MAPT
SCHEMBL5176927 0.74 MGAM (0.63) MGAMKDM4ESMN1; SMN2CNR2MAPT
SCHEMBL6955948 0.74 MGAM (0.63) MGAMKDM4ESMN1; SMN2CNR2MAPT
SCHEMBL28130309 0.73 KDM4E (0.69) MGAMKDM4ESMN1; SMN2CNR2MAPT
Quinaldic Acid SCHEMBL3396282 0.73 MGAM (0.79) MGAMKDM4ESMN1; SMN2CNR2HTT

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-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB MGAM 4105/4885KDM4E 3929/4885SMN1; SMN2 4139/4885

“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.