SCHEMBL3472402

SCHEMBL3472402

CCC(O)c1cc(-c2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)n(-c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.46
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
PDE4B Q07343 1/20 0.44
RAD52 P43351 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 1/20 0.43
FYN P06241 10/20 0.43
GRK5 P34947 1/20 0.41

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
SCHEMBL3472400 0.89 CAMK2D (0.46) CAMK2DADORA2AADORA2BADORA1PDE4B
SCHEMBL3472403 0.83 RXRA (0.47) CAMK2DADORA2AADORA2BADORA1PDE4B
SCHEMBL3473978 0.75 RXRA (0.53) NFKB1NFKB2RELAMALT1MAPK8
SCHEMBL26378205 0.71 HPGD (0.59)
SCHEMBL3474803 0.70 RXRA (0.52) RAD52NFKB1NFKB2RELAMALT1
SCHEMBL24061106 0.69 UTS2R (0.59) CAMK2DFYN
SCHEMBL3471994 0.68 RXRA (0.51)
SCHEMBL3472491 0.67 RXRA (0.56)
SCHEMBL13060639 0.67 FYN (0.55) CAMK2DRAD52FYN
SCHEMBL3131821 0.67 MAP4K4 (0.52) CAMK2DRAD52FYN

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 CAMK2D 3216/4885ADORA2A 455/4885ADORA2B 405/4885

“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.