SCHEMBL7551005

SCHEMBL7551005

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3ncncc3n2CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
NPY5R Q15761 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NLRP3 Q96P20 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7553956 0.87 MYC (0.47) MYCNPY5RNLRP3KDM4EMEN1
SCHEMBL7546958 0.86 CYP11B1 (0.38) NPY5RCYP11B1CYP11B2NLRP3HDAC1
SCHEMBL7160215 0.86 MYC (0.35) MYCHDAC1HDAC8HDAC6KDM4E
SCHEMBL7551302 0.83 CYP1A2 (0.39) CYP11B1CYP11B2HDAC1HDAC8HDAC6
SCHEMBL7549617 0.82 CYP11B1 (0.48) CYP11B1CYP11B2NLRP3HDAC1HDAC8
SCHEMBL7550136 0.80 RPS6KA5 (0.46) CYP11B1CYP11B2NLRP3HDAC1HDAC8
SCHEMBL7548733 0.79 MAPT (0.54) NLRP3HDAC1HDAC8HDAC6KDM4E
SCHEMBL7159220 0.76 CYP1A2 (0.44) HDAC1HDAC8HDAC6KDM4EMEN1
SCHEMBL7153735 0.75 NPY5R (0.49) NPY5RCYP3A4ADORA2AADORA1
SCHEMBL7156596 0.75 BACE1 (0.38) CYP11B1CYP11B2HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 MYC 1559/4885NPY5R 649/4885CYP11B1 842/4885

“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.