SCHEMBL7548588

SCHEMBL7548588

Fc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.49
HDAC6 Q9UBN7 3/20 0.48
MCHR1 Q99705 1/20 0.47
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
CHEK2 O96017 2/20 0.46
MAP4K4 O95819 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CCR2 P41597 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL7550044 0.88 ACHE (0.65) ACHEHDAC6CHEK2DPP7CCR2
SCHEMBL7553809 0.85 HRH4 (0.51) ACHEHDAC6CHEK2CCR2
SCHEMBL7548311 0.85 DPP7 (0.53) ACHEHDAC6CHEK2MAP4K4DPP7
SCHEMBL7547110 0.85 CCR2 (0.53) ACHEHDAC6MCHR1CHEK2MAP4K4
SCHEMBL7554506 0.85 ACHE (0.62) ACHEDPP7DRD2
SCHEMBL7553785 0.84 CCR2 (0.62) ACHEHDAC6CHEK2DPP7CCR2
SCHEMBL7549395 0.84 ACHE (0.50) ACHEHDAC6CHEK2DPP7CCR2
SCHEMBL7550196 0.84 HDAC6 (0.49) ACHEHDAC6CHEK2CCR2HTR1A
Hydrochloric Acid SCHEMBL7157090 0.84 ACHE (0.56) ACHEHDAC6CHEK2DRD2
SCHEMBL7553596 0.82 HPSE (0.48) ACHEHDAC6DPP7CCR2

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 ACHE 4652/4885HDAC6 737/4885MCHR1 660/4885

“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.