SCHEMBL7547201

SCHEMBL7547201

Clc1ccc(Sc2ccc3[nH]c(-c4ccc(CNCCN5CCCCC5)cc4)nc3c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.47
SIGMAR1 Q99720 6/20 0.43
ACHE P22303 6/20 0.42
HDAC6 Q9UBN7 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
KCNH2 Q12809 3/20 0.37
PARP1 P09874 1/20 0.36
CHEK2 O96017 2/20 0.35

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
SCHEMBL7553785 0.86 CCR2 (0.62) CCR2SIGMAR1ACHEHDAC6DPP7
SCHEMBL7546717 0.85 ACHE (0.54) CCR2SIGMAR1ACHEHDAC6DPP7
SCHEMBL7546972 0.81 ACHE (0.55) CCR2SIGMAR1ACHEHDAC6CHEK2
SCHEMBL7547110 0.81 CCR2 (0.53) CCR2SIGMAR1ACHEHDAC6DPP7
SCHEMBL7547205 0.80 CCR2 (0.75) CCR2SIGMAR1ACHE
SCHEMBL7550044 0.79 ACHE (0.65) CCR2ACHEHDAC6DPP7CHEK2
SCHEMBL7554506 0.79 ACHE (0.62) ACHEDPP7
SCHEMBL7549395 0.78 ACHE (0.50) CCR2ACHEHDAC6DPP7CHEK2
SCHEMBL7155181 0.77 DPP7 (0.44) CCR2SIGMAR1ACHEHDAC6DPP7
SCHEMBL7546025 0.76 CYP3A4 (0.46) CCR2ACHEHDAC6DPP7PARP1

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 4 patents. 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 claimed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 US claimed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP claimed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO claimed

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 2/4885SIGMAR1 66/4885ACHE 4652/4885

“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.