SCHEMBL7548837

SCHEMBL7548837

Clc1cc2nc(-c3cccc(CNCCN4CCCCC4)c3)[nH]c2cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
MAP4K4 O95819 2/20 0.48
DPP7 Q9UHL4 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
ACHE P22303 2/20 0.43
ATR Q13535 1/20 0.42
PARP1 P09874 3/20 0.42
RHEB Q15382 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
VSIR Q9H7M9 3/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 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
SCHEMBL7547685 0.89 ACHE (0.56) CCR2MAP4K4DPP7HSP90AA1HSP90AB1
SCHEMBL7553583 0.89 MAP4K4 (0.48) CCR2MAP4K4DPP7HSP90AA1HSP90AB1
SCHEMBL7553785 0.89 CCR2 (0.62) CCR2DPP7HDAC6ACHEPARP1
SCHEMBL7549696 0.87 ACHE (0.53) MAP4K4DPP7HDAC6ACHEATR
SCHEMBL7554505 0.83 MAP4K4 (0.48) MAP4K4DPP7HDAC6ACHEATR
SCHEMBL7549558 0.83 MAP4K4 (0.48) MAP4K4DPP7HDAC6ACHEATR
SCHEMBL7546612 0.82 CCR2 (0.51) CCR2DPP7ACHERHEBSIGMAR1
SCHEMBL7547110 0.81 CCR2 (0.53) CCR2MAP4K4DPP7HDAC6ACHE
SCHEMBL7554493 0.81 MAP4K4 (0.52) MAP4K4DPP7HSP90AA1HSP90AB1HDAC6
SCHEMBL7554554 0.80 MAP4K4 (0.48) MAP4K4DPP7ATRPARP1VSIR

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 CCR2 2/4885MAP4K4 1964/4885DPP7 2503/4885

“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.