SCHEMBL3473470

SCHEMBL3473470

CCNC(=O)c1cccc(-c2ccc(-c3cc(C(C)(C)O)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.66
NR1H3 Q13133 7/20 0.66
RXRA P19793 6/20 0.66
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
SLC16A3 O15427 5/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC16A1 P53985 4/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL3474525 0.88 NR1H2 (0.66) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473398 0.87 RXRA (0.73) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473810 0.87 RXRA (0.73) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL3470780 0.86 RXRA (0.72) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3475649 0.84 RXRA (0.62) NR1H2NR1H3RXRADRD2DRD4
SCHEMBL3471626 0.84 RXRA (0.62) NR1H2NR1H3RXRADRD2DRD4
SCHEMBL3473734 0.83 RXRA (0.78) NR1H2NR1H3RXRASLC16A3SLC16A1
SCHEMBL3473797 0.82 RXRA (0.71) NR1H2NR1H3RXRASLC16A3HDAC6
SCHEMBL3473137 0.82 RXRA (0.71) NR1H2NR1H3RXRAALDH1A1HPGD
SCHEMBL3474343 0.82 RXRA (0.76) NR1H2NR1H3RXRASLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.