SCHEMBL3477582

SCHEMBL3477582

COc1ccccc1C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
JAK1 P23458 1/20 0.47
CACNB4 O00305 5/20 0.47
CACNA1A O00555 5/20 0.47
CACNA1G O43497 5/20 0.47
CACNG3 O60359 5/20 0.47
CACNA1F O60840 5/20 0.47
CACNA1H O95180 5/20 0.47
CACNB3 P54284 5/20 0.47
CACNA2D1 P54289 5/20 0.47
CACNG7 P62955 5/20 0.47
CACNA1B Q00975 5/20 0.47
CACNA1D Q01668 5/20 0.47
CACNB1 Q02641 5/20 0.47
CACNG1 Q06432 5/20 0.47
CACNB2 Q08289 5/20 0.47
CACNA1S Q13698 5/20 0.47
CACNA1C Q13936 5/20 0.47
CACNA1E Q15878 5/20 0.47

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
SCHEMBL3470812 0.84 MEN1 (0.57) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL3471468 0.83 RXRA (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3472556 0.83 RXRA (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3474517 0.83 MALT1 (0.52) JAK1CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3473811 0.83 RXRA (0.51) MEN1KMT2ACACNB4CACNA1ACACNA1G
SCHEMBL3474689 0.82 RXRA (0.49) MEN1KMT2ARXRANR1H2NR1H3
SCHEMBL3471359 0.82 RXRA (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3473063 0.82 RXRA (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3473588 0.81 RXRA (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3470736 0.81 RXRA (0.56) RXRANR1H2NR1H3MAPT

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-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

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 MEN1 3666/4885KMT2A 2663/4885JAK1 4391/4885

“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.