SCHEMBL3470848

SCHEMBL3470848

CC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(-c3cccc(S(C)(=O)=O)c3)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RXRA P19793 7/20 0.45
NR1H2 P55055 7/20 0.45
NR1H3 Q13133 7/20 0.45
KCNH2 Q12809 4/20 0.45
SCN9A Q15858 2/20 0.43
CHRNA7 P36544 1/20 0.43
PTGS2 P35354 2/20 0.39
PTGS1 P23219 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
SCHEMBL3472319 0.90 RXRA (0.57) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3474002 0.88 KMT2A (0.53) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL27738021 0.87 KCNH2 (0.45) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3470718 0.85 RXRA (0.56) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3473869 0.83 NR1H2 (0.45) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3473773 0.78 NR1H2 (0.61) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3475403 0.73 NR1H2 (0.58) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3475558 0.72 RXRA (0.66) KMT2AMEN1RXRANR1H2NR1H3
SCHEMBL3472055 0.71 NR1H2 (0.81) RXRANR1H2NR1H3KCNH2CHRNA7
SCHEMBL3472145 0.71 NR1H2 (0.67) RXRANR1H2NR1H3KCNH2CHRNA7

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 6 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 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 KMT2A 2663/4885MEN1 3666/4885RXRA 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.