SCHEMBL3472262

SCHEMBL3472262

COc1cccc(N2CCN(C(=O)c3ccc(-c4cc(C(F)(F)F)nn4-c4ccccc4Cl)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXRA P19793 2/20 0.50
NR1H2 P55055 2/20 0.50
NR1H3 Q13133 2/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.49
NAMPT P43490 1/20 0.49
GAA P10253 1/20 0.49
CCKAR P32238 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CCR1 P32246 1/20 0.46
CYP2C9 P11712 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45

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
SCHEMBL3472696 0.93 PTGS2 (0.52) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473247 0.90 RXRA (0.51) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3474184 0.89 CNR1 (0.55) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3470812 0.87 MEN1 (0.57) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3473795 0.85 RXRA (0.49) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3475035 0.85 MGLL (0.51) MAPTRXRANR1H2NR1H3POLB
SCHEMBL3471233 0.84 RXRA (0.56) SMN1; SMN2RXRANR1H2NR1H3POLB
SCHEMBL3472038 0.84 RXRA (0.58) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471504 0.84 KDM4E (0.52) MAPTSMN1; SMN2RXRANR1H2NR1H3
SCHEMBL3471846 0.84 RXRA (0.51) MAPTSMN1; SMN2RXRANR1H2NR1H3

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 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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MAPT 4737/4885SMN1; SMN2 4666/4885RXRA 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.